Details of the Drug

General Information of Drug (ID: DMPO2RU)

• Drug Name: NSC-679036
• Synonyms: NSC-679036; CHEMBL49827; 2-(3-chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one; NSC679036; AC1L8S0Y; SCHEMBL7925200; CTK8C9852; ZINC5503957; 1, 2-(3-chlorophenyl)-6-methyl-; BDBM50059961; NCI60_028235; 2-(3-chlorophenyl)-6-methyl-1H-1,8-naphthyridin-4-one; 2-(3-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one; 1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-6-methyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.71
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H11ClN2O
  IUPAC Name: 2-(3-chlorophenyl)-6-methyl-1H-1,8-naphthyridin-4-one
  Canonical SMILES: CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)Cl)N=C1
  InChI: InChI=1S/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
  InChIKey: FSWIIQLXZOJBSF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 386588
  TTD ID: D08CQQ

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 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

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.