Details of the Drug

General Information of Drug (ID: DMC8G4S)

Drug Name
PF-4181366
Synonyms PDE9A inhibitor (cognitive deficit), Pfizer
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 429.5
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C24H27N7O
IUPAC Name
1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-3-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Canonical SMILES
C[C@@H]1CN(C[C@H]1C2=NC3=C(C=NN3C4CCCC4)C(=O)N2)CC5=CC6=NC=CN=C6C=C5
InChI
InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
InChIKey
SNCRCEGCQVMUBS-DNVCBOLYSA-N
Cross-matching ID
PubChem CID
135564899
CAS Number
1082743-32-5
TTD ID
D06NIT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 9 (PDE9) TTZOEBC PDE9A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cognitive impairment
ICD Disease Classification 6D71
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 9 (PDE9) DTT PDE9A 8.73E-03 0.07 0.36
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1309).