Details of the Drug

General Information of Drug (ID: DMGB9IE)

Drug Name
7-Methyl-2-propyl-[1,8]naphthyridin-4-ol
Synonyms CHEMBL103150; 7-Methyl-2-propyl-[1,8]naphthyridin-4-ol; 1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-; BDBM50147877; 718624-73-8
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) 202.25
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H14N2O
IUPAC Name
7-methyl-2-propyl-1H-1,8-naphthyridin-4-one
Canonical SMILES
CCCC1=CC(=O)C2=C(N1)N=C(C=C2)C
InChI
InChI=1S/C12H14N2O/c1-3-4-9-7-11(15)10-6-5-8(2)13-12(10)14-9/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKey
JAFFZYFREVCDTP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13155595
TTD ID
D01MOQ

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 Study on affinity profile toward native human and bovine adenosine receptors of a series of 1,8-naphthyridine derivatives. J Med Chem. 2004 Jun 3;47(12):3019-31.