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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 of BALIPODECT

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
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.

Originator

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.3 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
245.8 ng/mL
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

AUC

ValueDoseCo-administeredAnalytePopulation
5788.1 ng × h/mL
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
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
14.6 h
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
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
3.6%
TAK-063 plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Overview

Overview

Drug as perpetrator​Drug as victim
PubMed

PubMed

TitleDatePubMed
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 Nov 26
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 Jan
Patents

Sample Use Guides

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
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 Sat Dec 16 08:39:56 UTC 2023
Edited
by admin
on Sat Dec 16 08:39:56 UTC 2023
Record UNII
6650W303H0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALIPODECT
INN  
INN  
Official 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
balipodect [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 689219
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
EU-Orphan Drug EU/3/19/2154
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
FDA ORPHAN DRUG 689319
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
Code System Code Type Description
USAN
EF-96
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
CAS
1238697-26-1
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
PUBCHEM
46848915
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
FDA UNII
6650W303H0
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
NCI_THESAURUS
C166905
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
DRUG BANK
DB14774
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
SMS_ID
100000178413
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
INN
10456
Created by admin on Sat Dec 16 08:39:56 UTC 2023 , Edited by admin on Sat Dec 16 08:39:56 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Its selectivity over other PDEs could be up to 15 000-fold. Its pharmacokinetics were promising, including high brain penetration in mice
IC50
Related Record Type Details
ACTIVE MOIETY