BREXPIPRAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27N3O2S
Molecular Weight	433.566
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NC2=C(C=C1)C=CC(OCCCCN3CCN(CC3)C4=CC=CC5=C4C=CS5)=C2

InChI

InChIKey=ZKIAIYBUSXZPLP-UHFFFAOYSA-N

InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)

HIDE SMILES / InChI

Description
Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf | https://www.ncbi.nlm.nih.gov/pubmed/24947465
Curator's Comment: Description was created based on several sources, including https://www.drugbank.ca/drugs/DB09128

Brexpiprazole is a novel D2 dopamine and serotonin 1A partial agonist, called serotonin-dopamine activity modulator (SDAM), and a potent antagonist of serotonin 2A receptors, noradrenergic alpha 1B and 2C receptors. Brexpiprazole is approved for the treatment of schizophrenia, and as an adjunctive treatment for major depressive disorder (MDD). Although it failed Phase II clinical trials for ADHD, it has been designed to provide improved efficacy and tolerability (e.g., less akathisia, restlessness and/or insomnia) over established adjunctive treatments for major depressive disorder (MDD).Brexpiprazole is sold under the brand name Rexulti. Although the mechanism of action of brexpiprazole in the treatment of MDD and schizophrenia is unclear, the efficacy of brexpiprazole may be attributed to partial agonist activity at serotonin 1A and dopamine D2 receptors, and antagonist activity at serotonin 2A receptors.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 1a (5-HT1a) receptor 172 Target ID: CHEMBL214 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Partial Agonist 290	0.12 nM [Ki]
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Antagonist 2778	0.47 nM [Ki]
Dopamine D2 receptor 297 Target ID: CHEMBL217 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Partial Agonist 290	0.3 nM [Ki]
Dopamine D3 receptor 91 Target ID: CHEMBL234 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf \| https://www.ncbi.nlm.nih.gov/pubmed/24947465	Partial Agonist 290	1.1 nM [Ki]
Serotonin 2b (5-HT2b) receptor 60 Target ID: CHEMBL1833 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Antagonist 2778	1.9 nM [Ki]
Alpha-2c adrenergic receptor 37 Target ID: CHEMBL1916 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Antagonist 2778	0.59 nM [Ki]
Alpha-1b adrenergic receptor 44 Target ID: CHEMBL232 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Antagonist 2778	0.17 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Major depressive disorder 173 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Primary		Approved 8429	REXULTI Approved Use REXULTI is an atypical antipsychotic indicated for: • Use as an adjunctive therapy to antidepressants for the treatment of major depressive disorder (MDD) • Treatment of schizophrenia Launch Date 2015
Schizophrenia 298 Sources: http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf	Primary		Approved 8429	REXULTI Approved Use REXULTI is an atypical antipsychotic indicated for: • Use as an adjunctive therapy to antidepressants for the treatment of major depressive disorder (MDD) • Treatment of schizophrenia Launch Date 2015

C_max

Value	Dose	Analyte	Population
165 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	4 mg 1 times / day multiple, oral dose: 4 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
206 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	6 mg 1 times / day multiple, oral dose: 6 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
29.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	1 mg 1 times / day multiple, oral dose: 1 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED

AUC

Value	Dose	Analyte	Population
3238 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	4 mg 1 times / day multiple, oral dose: 4 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
3738 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	6 mg 1 times / day multiple, oral dose: 6 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
537 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	1 mg 1 times / day multiple, oral dose: 1 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED

T_1/2

Value	Dose	Analyte	Population
70.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	4 mg 1 times / day multiple, oral dose: 4 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
51.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	6 mg 1 times / day multiple, oral dose: 6 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED
91.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28750151	1 mg 1 times / day multiple, oral dose: 1 mg route of administration: Oral experiment type: MULTIPLE co-administered:	BREXPIPRAZOLE plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FED

F_unbound

Value	Dose	Co-administered	Analyte	Population
1% DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/205422s005lbl.pdf	unknown, unknown		BREXPIPRAZOLE plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Doses

Dose	Population	Adverse events
4 mg 1 times / day steady, oral Recommended Dose: 4 mg, 1 times / day Route: oral Route: steady Dose: 4 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/30319261	unhealthy, 18-65 years n = 477 Health Status: unhealthy Condition: Schizophrenia Age Group: 18-65 years Sex: M+F Population Size: 477 Sources: https://pubmed.ncbi.nlm.nih.gov/30319261	Other AEs: Somnolence, Akathisia... Other AEs: Somnolence Akathisia Weight gain Sources: https://pubmed.ncbi.nlm.nih.gov/30319261
4 mg 1 times / day steady, oral (max) Dose: 4 mg, 1 times / day Route: oral Route: steady Dose: 4 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	unhealthy, 38.8 years n = 822 Health Status: unhealthy Condition: Schizophrenia Age Group: 38.8 years Sex: M+F Population Size: 822 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	Disc. AE: Rash, Coronary artery disease... AEs leading to discontinuation/dose reduction: Rash (0.3%) Coronary artery disease (0.1%) Gastrooesophageal reflux disease (0.1%) Irritability (0.1%) Oedema peripheral (0.1%) Hepatic enzyme increased (0.4%) Blood creatine phosphokinase increased (0.1%) Blood triglycerides increased (0.1%) Hypoglycaemia (0.1%) Rhabdomyolysis (0.2%) Convulsion (0.1%) Dizziness (0.1%) Psychomotor hyperactivity (0.1%) Agitation (0.1%) Hallucination (0.1%) Hostility (0.1%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132
4 mg 1 times / day steady, oral (min) Dose: 4 mg, 1 times / day Route: oral Route: steady Dose: 4 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	unhealthy, 39.5 years n = 93 Health Status: unhealthy Condition: Schizophrenia Age Group: 39.5 years Sex: M+F Population Size: 93 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	Disc. AE: Irritability, Electrocardiogram QT prolonged... AEs leading to discontinuation/dose reduction: Irritability (1.1%) Electrocardiogram QT prolonged (1.1%) Akathisia (1.1%) Syncope (1.1%) Tremor (1.1%) Agitation (1.1%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132
2 mg 1 times / day steady, oral (max) Dose: 2 mg, 1 times / day Route: oral Route: steady Dose: 2 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	unhealthy, 39.7 years n = 341 Health Status: unhealthy Condition: Schizophrenia Age Group: 39.7 years Sex: M+F Population Size: 341 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	Disc. AE: Anaemia folate deficiency... AEs leading to discontinuation/dose reduction: Anaemia folate deficiency (0.3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132
2 mg 1 times / day steady, oral (max) Dose: 2 mg, 1 times / day Route: oral Route: steady Dose: 2 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	unhealthy, 43.9 years n = 182 Health Status: unhealthy Condition: Schizophrenia Age Group: 43.9 years Sex: M+F Population Size: 182 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	Disc. AE: Acute myocardial infarction, Vomiting... AEs leading to discontinuation/dose reduction: Acute myocardial infarction (0.3%) Vomiting (0.3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132
2 mg 1 times / day steady, oral (max) Dose: 2 mg, 1 times / day Route: oral Route: steady Dose: 2 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	unhealthy, 43.9 years n = 949 Health Status: unhealthy Condition: Schizophrenia Age Group: 43.9 years Sex: M+F Population Size: 949 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132	Disc. AE: Irritability, Ankle fracture... AEs leading to discontinuation/dose reduction: Irritability (0.3%) Ankle fracture (0.3%) Aspartate aminotransferase increased (0.3%) Agitation (0.3%) Hallucination (0.3%) Aggression (0.3%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 132
5 mg 1 times / day steady, oral Highest studied dose Dose: 5 mg, 1 times / day Route: oral Route: steady Dose: 5 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 118	unhealthy, 48 years n = 1 Health Status: unhealthy Condition: Schizophrenia Age Group: 48 years Sex: F Population Size: 1 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 118	Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000MedR.pdf Page: p. 118

AEs

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1737 inhibitor 1587	inhibitor 1767	substrate 1217 inhibitor 1852

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 1524 CYP2A6 707 CYP2B6 810 CYP2C8 911 CYP2C19 1478 CYP2E1 882 P-gp 1461 BCRP 699 BSEP 402 OAT1 599 OAT3 642 OATP1B1 788 OATP1B3 706 OCT1 512 OCT2 647 MATE2 263	FMO3 67 CYP1A1 349 CYP2B6 664 CYP2C19 991 P-gp 1537 BCRP 561 OATP1B1 406 OATP1B3 350 OCT1 327

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
CYP1A2 1692	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
CYP1A2 1692	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2A6 739	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
CYP2A6 739	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2B6 1001	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	no [IC50 >100 uM]	DM-3411 1
CYP2E1 970	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	no [IC50 >100 uM]
OAT1 603	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]
OAT1 603	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]	DM-3411 1
OAT3 644	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]
OAT3 644	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]	DM-3411 1
OATP1B3 715	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]
OATP1B3 715	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no [IC50 >30 uM]	DM-3411 1
BSEP 403	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	weak
BSEP 403	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	weak	DM-3411 1
MATE2 263	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=22 Page: 22.0	yes [IC50 0.16 uM]	DM-3411 1
BCRP 773	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	yes [IC50 1.16 uM]
MATE2 263	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=22 Page: 22.0	yes [IC50 1.6 uM]
OCT1 543	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 11.4 uM]	DM-3411 1
OCT1 543	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 13 uM]
CYP2D6 1891	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 13.44 uM]
CYP2D6 1891	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	yes [IC50 15.3 uM]	DM-3411 1
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 22.23 uM]
CYP3A4 1925	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=14 Page: 14.0	yes [IC50 25.8 uM]	DM-3411 1
CYP3A4 1925	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 29.88 uM]		no (co-administration study) Comment: lovastatin Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0
BCRP 773	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	yes [IC50 3.04 uM]	DM-3411 1
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [IC50 39.82 uM]
OCT2 648	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 4.27 uM]
P-gp 1650	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=17 Page: 17.0	yes [IC50 6.3 uM]
OCT2 648	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 6.5 uM]	DM-3411 1
P-gp 1650	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	yes [IC50 7.84 uM]	DM-3411 1
OATP1B1 803	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 8.39 uM]
OATP1B1 803	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	yes [IC50 9.13 uM]	DM-3411 1
CYP2B6 1001	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=11 Page: 11.0	yes [Ki 5.01 uM]

Drug as victim

Target	Modality	Activity	Clinical evidence
OATP1B1 406	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no
OATP1B3 350	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no
OCT1 327	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=21 Page: 21.0	no
P-gp 1537	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	no
BCRP 561	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=19 Page: 19.0	weak
CYP1A1 349	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP2B6 664	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP2C19 991	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP3A4 1737	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
FMO3 67	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes
CYP2D6 1217	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0	yes	yes (pharmacogenomic study) Comment: In CYP2D6 PM subjects, ultra-rapid and intermediate CYP2D6 metabolizer subjects, CL/F was estimated to be -32%, +18% and -20% than the value estimated for CYP2D6 EM subjects, corresponding to +47%, -21% and +25% change in AUC in these subjects, respectively. Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2015/205422Orig1Orig2s000ClinPharmR.pdf#page=141 Page: 141.0

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY443121	https://www.001chemical.com/chem/913611-97-9
AbMole Bioscience	M5467	http://www.abmole.com/products/brexpiprazole.html
Aceschem	ACS020011	https://www.aceschem.com/catalog/913611-97-9.html
Achemo Scientific Limited	AC-75198	http://www.achemo.com/search/?Keyword= 913611-97-9
Achemtek	0102-028922	http://www.achemtek.com/913611-97-9
Acorn PharmaTech	ACN-048731	http://www.acornpharmatech.com/
Adooq BioScience	A13527	https://www.adooq.com/brexpiprazole.html
Ambinter	Amb23439632	http://www.ambinter.com/reference/23439632
Angene	AGN-PC-0WAK5M	http://www.angenechemical.com/productshow/AGN-PC-0WAK5M.html
ApexBio Technology	B1102	http://www.apexbt.com/brexpiprazole.html
Ark Pharm	AK171366	http://www.arkpharminc.com/products/913611-97-9.html
AvaChem Scientific	4608	http://www.avachem.com/productSearch.asp?4608
BOC Sciences	913611-97-9	https://www.bocsci.com/brexpiprazole-cas-913611-97-9-item-467684.html
BenchChem	B522024	https://www.benchchem.com/product/b522024
BioChemPartner	BCP10218	http://www.biochempartner.com/913611-97-9-BCP10218
BioChemPartner	BCP24077	http://www.biochempartner.com/Brexpiprazole-BCP24077
BioCrick	BCC4118	http://www.biocrick.com/Brexpiprazole-BCC4118.html
Boerchem	BC600277	http://www.boerchem.com/?product_42204.html
Chem Scene	CS-2108	http://www.chemscene.com/913611-97-9.html
Chemenu	CM109028	http://www.chemenu.com/products/CM109028
Chemspace	CSSB00015191581	https://chem-space.com/CSSB00015191581
Clearsynth	CS-CB-00057	https://www.clearsynth.com/en/CSCB00057.html
Combi-Blocks	QJ-9589	http://www.combi-blocks.com/cgi-bin/find.cgi?QJ-9589
DC Chemicals	DC8286	http://www.dcchemicals.com/product_show-Brexpiprazole_OPC34712_.html
Debye Scientific	DA-35913	http://www.debyesci.com/cas_913611-97-9.html
Excenen	EX-A2639	https://www.excenen.com/searchresultlist.php?id=913611-97-9
Finetech	FT-0712292	http://www.finetechnology-ind.com/prod/detail/pub/913611-97-9.html
Hairui	HR33161	http://www.hairuichem.com/en/product/913611-97-9.html
Hefei Hirisun Pharmatech Co., Ltd	HR010976	http://www.hirisunpharm.com/913611-97-9.html
LGC Standards	MM3702.00	https://www.lgcstandards.com/US/en/p/MM3702.00
Lab Network	LN01342592	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01342592
Matrix Scientific	132912	https://www.matrixscientific.com/132912.html
MedChem Express	HY-15780	https://www.medchemexpress.com/Brexpiprazole.html
Molcore	MC443121	https://www.molcore.com/product/913611-97-9
Selleck Chemicals	S4639	http://www.selleckchem.com/products/brexpiprazole.html
Smolecule	S522024	http://www.smolecule.com/products/s522024
Smolecule	S763240	https://www.smolecule.com/products/s763240
Synblock Inc	SB16735	http://www.synblock.com/product/913611-97-9.html
THE BioTek	bt-261480	https://www.thebiotek.com/product/inhibitors/bt-261480
Yuhao Chemical	LX1071	http://www.chemyuhao.com/913611-97-9.html
abcr GmbH	AB442842	http://www.abcr.com/shop/en/AB442842
eNovation Chemicals	D541253	http://www.enovationchem.com/productDetails.asp?productID=D541253

PubMed

Title	Date	PubMed
Brexpiprazole I: in vitro and in vivo characterization of a novel serotonin-dopamine activity modulator.	2014 Sep	24947465
The preclinical profile of brexpiprazole: what is its clinical relevance for the treatment of psychiatric disorders?	2015 Oct	26402059
Brexpiprazole: First Global Approval.	2015 Sep	26310190
Brexpiprazole for schizophrenia and as adjunct for major depressive disorder: a systematic review of the efficacy and safety profile for this newly approved antipsychotic - what is the number needed to treat, number needed to harm and likelihood to be helped or harmed?	2015 Sep	26250067

Patents

Sample Use Guides

In Vivo Use Guide

Treatment of Schizophrenia The recommended starting dosage for REXULTI (Brexpiprazole) is 1 mg once daily on Days 1 to 4, taken orally with or without food The recommended target REXULTI dosage is 2 mg to 4 mg once daily. Titrate to 2 mg once daily on Day 5 through Day 7, then to 4 mg on Day 8 based on the patient’s clinical response and tolerability. The maximum recommended daily dosage is 4 mg.

Route of Administration: Oral

In Vitro Use Guide

Brexpiprazole (1.0 uM) increased the number of cells with neurites in PC12 cells. Treatment with brexpiprazole (0.001, 0.01, 0.1 or 1.0 uM) in conjunction with NGF (2.5 ng/ml) increased the number of cells with neurites, in a concentration-dependent manner.

Name

Type

Language

BREXPIPRAZOLE

Official Name

English

Brexpiprazole [WHO-DD]

Common Name

English

OPC-34712

Code

English

BREXPIPRAZOLE [MI]

Common Name

English

brexpiprazole [INN]

Common Name

English

BREXPIPRAZOLE [USAN]

Common Name

English

BREXPIPRAZOLE [JAN]

Common Name

English

REXULTI

Brand Name

English

BREXPIPRAZOLE [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

WHO-ATC

N05AX16