Details of the Drug

General Information of Drug (ID: DMU618S)

Drug Name
5,7-Dimethyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
Synonyms NSC676189; AC1NV5AO; SCHEMBL7921784; CHEMBL102019; ZINC6491121; NSC-676189; NCI60_026916; 5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
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) 264.32
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H16N2O
IUPAC Name
5,7-dimethyl-2-(3-methylphenyl)-1H-1,8-naphthyridin-4-one
Canonical SMILES
CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3C)C
InChI
InChI=1S/C17H16N2O/c1-10-5-4-6-13(7-10)14-9-15(20)16-11(2)8-12(3)18-17(16)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKey
RXJJJRMOQDHINF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5468783
TTD ID
D0K5CK

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. 178. Synthesis and biological evaluation of substituted 2-aryl-1,8-naphthyridin-4(1H)-ones as antitumor agents that inhibit tubul... J Med Chem. 1997 Sep 12;40(19):3049-56.