Details of the Drug

General Information of Drug (ID: DMU9YPV)

Drug Name
US8741907-compound-3
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 302.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H26N4O
IUPAC Name
6-(cyclohexylmethyl)-1-pentan-3-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Canonical SMILES
CCC(CC)N1C2=C(C=N1)C(=O)NC(=N2)CC3CCCCC3
InChI
InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)
InChIKey
GXWSVMJGLJNVHK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135422930
TTD ID
D0X5XB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 3B (PDE3B) TTN34SQ PDE3B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 3B (PDE3B) DTT PDE3B 9.09E-01 0.1 0.35
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Selective phosphodiesterase 9A inhibitors as medicaments for improving cognitive processes. US9067945.