Details of the Drug

General Information of Drug (ID: DMD8ZUH)

Drug Name
2-Furan-2-yl-7-methyl-1H-[1,8]naphthyridin-4-one
Synonyms 9008-02-0; CHEMBL130391
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) 226.23
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H10N2O2
IUPAC Name
2-(furan-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one
Canonical SMILES
CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CO3
InChI
InChI=1S/C13H10N2O2/c1-8-4-5-9-11(16)7-10(15-13(9)14-8)12-3-2-6-17-12/h2-7H,1H3,(H,14,15,16)
InChIKey
INGWEZCOABYORO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13285535
CAS Number
9008-02-0
UNII
VSU9IB86SP
DrugBank ID
DB04945
TTD ID
D0Y8UP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin (TUB) TTML2WA NOUNIPROTAC Inhibitor [1]
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC 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
Tubulin (TUB) DTT NO-GeName 7.94E-02 0.35 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Antitumor agents. 196. Substituted 2-thienyl-1,8-naphthyridin-4-ones: their synthesis, cytotoxicity, and inhibition of tubulin polymerization. J Med Chem. 1999 Oct 7;42(20):4081-7.