Details of the Drug

General Information of Drug (ID: DMBRETS)

Drug Name
2-(4-methoxyphenyl)quinoline-8-carboxamide
Synonyms 2-(4-methoxyphenyl)quinoline-8-carboxamide; CHEMBL481591; 655222-47-2; CTK1J6622; DTXSID70649086; BDBM50255383; AKOS030560276; 8-Quinolinecarboxamide, 2-(4-methoxyphenyl)-
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) 278.3
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H14N2O2
IUPAC Name
2-(4-methoxyphenyl)quinoline-8-carboxamide
Canonical SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(=O)N)C=C2
InChI
InChI=1S/C17H14N2O2/c1-21-13-8-5-11(6-9-13)15-10-7-12-3-2-4-14(17(18)20)16(12)19-15/h2-10H,1H3,(H2,18,20)
InChIKey
HJJCORRFLXJIBM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25209058
CAS Number
655222-47-2
TTD ID
D04TDX

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 Design, synthesis, and evaluation in vitro of quinoline-8-carboxamides, a new class of poly(adenosine-diphosphate-ribose)polymerase-1 (PARP-1) inhi... J Med Chem. 2009 Feb 12;52(3):868-77.