BALIPODECT

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H17FN6O2
Molecular Weight	428.4185
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CN(N=C(C2=CC=NN2C3=CC=CC=C3)C1=O)C4=CC=C(C=C4F)N5C=CC=N5

InChI

InChIKey=KVHRYLNQDWXAGI-UHFFFAOYSA-N

InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3

HIDE SMILES / InChI

Molecular Formula	C23H17FN6O2
Molecular Weight	428.4185
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://huntingtonsdiseasenews.com/2016/11/08/investigational-drug-appears-improve-huntingtons-symptoms-mice/ | https://www.ncbi.nlm.nih.gov/pubmed/25384088
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/27811172

TAK-063 is a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor with IC50 of 0.30 nM; >15000-fold selectivity over other PDEs. TAK-063 is currently being evaluated in clinical trials for the treatment of schizophrenia. Phosphodiesterase 10A (PDE10A) is a cAMP/cGMP phosphodiesterase highly expressed in medium spiny neurons (MSNs) in the striatum. TAK-063 represents a promising drug for the treatment of schizophrenia with potential for superior safety and tolerability profiles.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Phosphodiesterase 10A 13 Target ID: CHEMBL4409 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25384088 \| https://www.ncbi.nlm.nih.gov/pubmed/25815469	Inhibitor 8504		0.3 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Schizophrenia 305 Sources: https://clinicaltrials.gov/ct2/show/NCT02477020	Primary		Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
245.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/27572830	1000 mg single, oral dose: 1000 mg route of administration: Oral experiment type: SINGLE co-administered:		TAK-063 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
5788.1 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/27572830	1000 mg single, oral dose: 1000 mg route of administration: Oral experiment type: SINGLE co-administered:		TAK-063 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
14.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/27572830	1000 mg single, oral dose: 1000 mg route of administration: Oral experiment type: SINGLE co-administered:		TAK-063 plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
3.6% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/29345044			TAK-063 plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
	inhibitor 2438 substrate 1193	inhibitor 2507 substrate 1388

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 P-gp 1741 CYP2B6 926 CYP2C8 1057 CYP3A4/5 296 CYP2C19 2057	P-gp 2052 BCRP 697 CYP3A4/5 91 CYP2C8 810 CYP2C19 1119 CYP2B6 776 CYP1A2 1197	CYP3A4/5 133 CYP1A2 832 CYP2B6 669

Drug as perpetrator

Target	Modality	Activity	Metabolite
CYP1A2 2333	inducer 1966 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	likely
CYP2B6 1160	inducer 1966 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	likely
CYP2B6 1160	inducer 1966 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	likely	M-I 1
CYP3A4/5 357	inducer 1966 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	likely
CYP3A4/5 357	inducer 1966 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	likely	M-I 1
CYP1A2 2333	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	unlikely [IC50 >20 uM]
CYP2B6 1160	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	unlikely [IC50 >20 uM]
CYP2C9 2497	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	unlikely [IC50 >20 uM]
CYP2D6 2546	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	unlikely [IC50 >20 uM]
CYP3A4/5 357	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	unlikely [IC50 >20 uM]
CYP1A2 2333	inducer 1966 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	unlikely	M-I 1
CYP2C19 2141	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	yes [IC50 12 uM]
P-gp 1932	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	yes [IC50 7.13 uM]
CYP2C8 1117	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	yes [IC50 8.4 uM]

Drug as victim

Target	Modality	Activity
CYP2C8 810	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	major
CYP2D6 1388	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	major
CYP3A4/5 91	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	major
CYP2B6 776	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	minor
CYP2C9 1193	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	minor
BCRP 697	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	no
P-gp 2052	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	no
CYP1A2 1197	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	yes
CYP2C19 1119	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/29345044/	yes

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P009D12	https://www.1pchem.com/search?query=1P009D12
AstaTech	40097	http://astatechinc.com/CPSResult.php?CRNO=40097
Axon MedChem	2399	https://www.axonmedchem.com/product/2399
BLD Pharm	BD630041	http://www.bldpharm.com/search/Search.html?keyword=BD630041
Chem Scene	CS-3551	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-3551
ChemShuttle	157309	https://www.chemshuttle.com/catalogsearch/result/?q=157309
eMolecules	50550848	https://orderbb.emolecules.com/search/#?query=50550848
Excenen	EX-A568	http://www.excenen.com/searchresultlist.php?id=EX-A568
mcule	MCULE-6938777299	https://mcule.com/MCULE-6938777299/
MedChem Express	HY-12472	https://www.medchemexpress.com/search.html?q=HY-12472&ft=&fa=&fp=
Molnova	M10959	https://www.molnova.com/en/serch-list.html?keywords=M10959
MolPort	MolPort-042-665-865	https://www.molport.com/shop/molecule-link/MolPort-042-665-865
MuseChem	I000951	https://www.musechem.com/product/I000951.html
Ryan Scientific	Dalbavancin_HCl	https://ryansci.com/products?q=Dalbavancin_HCl&list_q=&search_type=exact
Selleck Chemicals	S8459	http://www.selleckchem.com/search.html?searchDTO.searchParam=S8459
ShangHai Biochempartner	BCP001382	http://www.biochempartner.com/search_BCP001382
ShangHai Biochempartner	BCP14040	http://www.biochempartner.com/search_BCP14040
TargetMol	T1745	https://www.targetmol.com/search?keyword=T1745

PubMed

Title	Date	PubMed
TAK-063, a Novel Phosphodiesterase 10A Inhibitor, Protects from Striatal Neurodegeneration and Ameliorates Behavioral Deficits in the R6/2 Mouse Model of Huntington's Disease.	2017-01	27811172
Characterization of binding and inhibitory properties of TAK-063, a novel phosphodiesterase 10A inhibitor.	2015	25815469
Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.	2014-11-26	25384088

Patents

Sample Use Guides

In Vivo Use Guide

TAK-063 20 (milligram) mg, tablets, orally, once daily for up to 6 weeks. Dose may be titrated down to 10 mg/day, if intolerable.

Route of Administration: Oral

In Vitro Use Guide

TAK-063 has shown high inhibitory activity and selectivity for human recombinant PDE10A2 in vitro; the half-maximal inhibitory concentration was 0.30 nM, and selectivity over other phosphodiesterases (PDEs) was more than 15000-fold. TAK-063 at 10 uM did not show more than 50% inhibition or stimulation of 91 enzymes or receptors except for PDEs.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:14:57 GMT 2025` Edited by `admin` on `Mon Mar 31 22:14:57 GMT 2025`
Record UNII	6650W303H0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BALIPODECT

Official Name

English

balipodect [INN]

Preferred Name

English

1-(2-FLUORO-4-(1H-PYRAZOL-1-YL)PHENYL)-5-METHOXY- 3-(1-PHENYL-1H-PYRAZOL-5-YL)PYRIDAZIN-4(1H)-ONE

Systematic Name

English

TAK-063

Code

English

BALIPODECT [USAN]

Common Name

English

4(1H)-PYRIDAZINONE, 1-(2-FLUORO-4-(1H-PYRAZOL-1-YL)PHENYL)-5-METHOXY-3-(1-PHENYL-1H-PYRAZOL-5-YL)-

Systematic Name

English

Balipodect [WHO-DD]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

689219