Details of the Drug

General Information of Drug (ID: DMO1920)

Drug Name
7-azaindole derivative 8
Synonyms PMID27841036-Compound-10
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H22N4O
IUPAC Name
6-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
Canonical SMILES
C1CCN(CC1)CC2=CC=C(C=C2)C3=NC4=C(C=C3)C=CN4C(=O)N
InChI
InChI=1S/C20H22N4O/c21-20(25)24-13-10-17-8-9-18(22-19(17)24)16-6-4-15(5-7-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,25)
InChIKey
HIBOPBGHLVWFCH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73669300
TTD ID
D09WUA

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

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 PARP inhibitors as antitumor agents: a patent update (2013-2015).Expert Opin Ther Pat. 2017 Mar;27(3):363-382.