Details of the Drug

General Information of Drug (ID: DMTSF6A)

Drug Name
2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
Synonyms
CHEMBL423845; NSC676180; AC1L8OZ9; 2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one; SCHEMBL7925077; CTK8D2144; ZINC5647446; BDBM50059969; NSC-676180; NCI60_026907; 2-(1-Naphthyl)-1,8-naphthyridin-4(1H)-one; 2-naphthalen-1-yl-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) 272.3
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H12N2O
IUPAC Name
2-naphthalen-1-yl-1H-1,8-naphthyridin-4-one
Canonical SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC(=O)C4=C(N3)N=CC=C4
InChI
InChI=1S/C18H12N2O/c21-17-11-16(20-18-15(17)9-4-10-19-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,19,20,21)
InChIKey
PPEYNRXCXSJVHV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
385176
TTD ID
D09HKD
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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]
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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
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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.