Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H27ClFN5O3 |
Molecular Weight | 560.018 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC#C\C(=N/OC[C@H]1COCCN1)C2=CC=C3N=CN=C(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)C3=C2
InChI
InChIKey=IBCIAMOTBDGBJN-NRLRZRKLSA-N
InChI=1S/C30H27ClFN5O3/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36)/b37-27+/t24-/m1/s1
Molecular Formula | C30H27ClFN5O3 |
Molecular Weight | 560.018 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
CNS Activity
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P00533|||Q9GZX1 Gene ID: 1956.0 Gene Symbol: EGFR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24837299 |
1.48 nM [IC50] | ||
Target ID: P04626 Gene ID: 2064.0 Gene Symbol: ERBB2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24837299 |
7.15 nM [IC50] | ||
Target ID: Q15303 Gene ID: 2066.0 Gene Symbol: ERBB4 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24837299 |
2.49 nM [IC50] |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
5628.2 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30196106/ |
400 mg 1 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered: TRASTUZUMAB |
EPERTINIB plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
6744.8 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30196106/ |
600 mg 1 times / day steady-state, oral dose: 600 mg route of administration: Oral experiment type: STEADY-STATE co-administered: TRASTUZUMAB |
EPERTINIB plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
8518 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30196106/ |
800 mg 1 times / day steady-state, oral dose: 800 mg route of administration: Oral experiment type: STEADY-STATE co-administered: TRASTUZUMAB |
EPERTINIB plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
|
2614.7 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/30196106/ |
200 mg 1 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered: TRASTUZUMAB|vinorelbine |
EPERTINIB plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
Funbound
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
0.5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29321587/ |
unknown, unknown |
EPERTINIB plasma | Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN |
PubMed
Title | Date | PubMed |
---|---|---|
Preclinical antitumor activity of S-222611, an oral reversible tyrosine kinase inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor 2. | 2014 Aug |
|
Phase 1 dose-escalation study of S-222611, an oral reversible dual tyrosine kinase inhibitor of EGFR and HER2, in patients with solid tumours. | 2015 Jan |
Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 08:11:30 GMT 2025
by
admin
on
Wed Apr 02 08:11:30 GMT 2025
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Record UNII |
60OIK33ZQR
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Record Status |
Validated (UNII)
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Record Version |
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Preferred Name | English | ||
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Official Name | English | ||
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Systematic Name | English | ||
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Code | English |
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100000174629
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10333
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60OIK33ZQR
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46701811
Created by
admin on Wed Apr 02 08:11:30 GMT 2025 , Edited by admin on Wed Apr 02 08:11:30 GMT 2025
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1831116-77-8
Created by
admin on Wed Apr 02 08:11:30 GMT 2025 , Edited by admin on Wed Apr 02 08:11:30 GMT 2025
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NON-SPECIFIC STEREOCHEMISTRY | |||
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C166884
Created by
admin on Wed Apr 02 08:11:30 GMT 2025 , Edited by admin on Wed Apr 02 08:11:30 GMT 2025
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908305-13-5
Created by
admin on Wed Apr 02 08:11:30 GMT 2025 , Edited by admin on Wed Apr 02 08:11:30 GMT 2025
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
IC50
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TARGET -> INHIBITOR |
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TARGET -> INHIBITOR |
IC50
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SALT/SOLVATE -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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