Details of the Drug

General Information of Drug (ID: DMP6Z3R)

Drug Name
8-(3-Nitro-phenyl)-6-phenyl-[1,7]naphthyridine
Synonyms CHEMBL161465; 6-Phenyl-8-(3-nitrophenyl)-1,7-naphthyridine; 8-(3-Nitro-phenyl)-6-phenyl-[1,7]naphthyridine; SCHEMBL7015917; SRVUGPYWYLBZNI-UHFFFAOYSA-N; ZINC13805266
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) 327.3
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H13N3O2
IUPAC Name
8-(3-nitrophenyl)-6-phenyl-1,7-naphthyridine
Canonical SMILES
C1=CC=C(C=C1)C2=NC(=C3C(=C2)C=CC=N3)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H13N3O2/c24-23(25)17-10-4-8-15(12-17)20-19-16(9-5-11-21-19)13-18(22-20)14-6-2-1-3-7-14/h1-13H
InChIKey
SRVUGPYWYLBZNI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10711281
TTD ID
D02NKD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 4A (PDE4A) TTZ97H5 PDE4A_HUMAN Inhibitor [1]
Phosphodiesterase 4B (PDE4B) TTVIAT9 PDE4B_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
Phosphodiesterase 4A (PDE4A) DTT PDE4A 9.26E-01 -3.01E-03 -0.01
Phosphodiesterase 4B (PDE4B) DTT PDE4B 2.75E-01 -0.13 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Palladium-catalyzed cross-coupling reactions for the synthesis of 6, 8-disubstituted 1,7-naphthyridines: a novel class of potent and selective phos... J Med Chem. 2000 Feb 24;43(4):675-82.