Synonyms
Status
Molecule Category Free-form
UNII 6650W303H0

Structure

InChI Key KVHRYLNQDWXAGI-UHFFFAOYSA-N
Smiles COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H17FN6O2
Molecular Weight 428.43
AlogP 3.42
Hydrogen Bond Acceptor 8.0
Number of Rotational Bond 5.0
Polar Surface Area 79.76
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 10A inhibitor INHIBITOR PubMed

Target Conservation

Protein: Phosphodiesterase 10A

Description: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

Organism : Homo sapiens

Q9Y233 ENSG00000112541

Cross References

Resources Reference
ChEMBL CHEMBL3989972
DrugBank DB14774
FDA SRS 6650W303H0
PDB 3K9
PubChem 46848915
SureChEMBL SCHEMBL518714
ZINC ZINC000114005494