General Information of Drug (ID: DM64JE8)

Drug Name
2-phenylpyrazolo-[1,5-a]pyridine-7-carboxamide
Synonyms 2-phenylpyrazolo[1,5-a]pyridine-7-carboxamide; 1196713-16-2; ZINC64337832; DA-47424
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 243.3
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H17N3O
IUPAC Name
2-cyclohexylpyrazolo[1,5-a]pyridine-7-carboxamide
Canonical SMILES
C1CCC(CC1)C2=NN3C(=C2)C=CC=C3C(=O)N
InChI
InChI=1S/C14H17N3O/c15-14(18)13-8-4-7-11-9-12(16-17(11)13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,15,18)
InChIKey
YQKBVCBRJDUULG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49799912
TTD ID
D08OUR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Poly [ADP-ribose] polymerase 1 (PARP1) TTVDSZ0 PARP1_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 Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Poly [ADP-ribose] polymerase 1 (PARP1) DTT PARP1 5.01E-05 1.02 2.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Discovery of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor effica... J Med Chem. 2009 Nov 26;52(22):7170-85.