Details of the Drug

General Information of Drug (ID: DM9SVEB)

Drug Name
4-Chloro-7-methyl-2-phenyl-[1,8]naphthyridine
Synonyms CHEMBL97778; 4-chloro-7-methyl-2-phenyl-1,8-naphthyridine; 4-Chloro-7-methyl-2-phenyl-[1,8]naphthyridine; SCHEMBL1536334; BDBM50090689; ZINC13579501
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) 254.71
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H11ClN2
IUPAC Name
4-chloro-7-methyl-2-phenyl-1,8-naphthyridine
Canonical SMILES
CC1=NC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
CMSOCFLZPHQUAD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12431921
TTD ID
D09KUY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A novel class of highly potent and selective A1 adenosine antagonists: structure-affinity profile of a series of 1,8-naphthyridine derivatives. J Med Chem. 2000 Jul 27;43(15):2814-23.