Details of the Drug

General Information of Drug (ID: DMEF603)

• Drug Name: NSC-664171
• Synonyms: NSC-664171; CHEMBL15778; 4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-(3- methoxyphenyl)-; NSC664171; AC1Q6BII; AC1L8EB7; SCHEMBL7615804; ZINC5503291; BDBM50037450; NCI60_022072; 2-(3-methoxyphenyl)-6-pyrrolinylquinolin-4-one; 2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one; 2-(3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one; 2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one (PQ-7)

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); 320.4
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H20N2O2
  IUPAC Name: 2-(3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
  Canonical SMILES: COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4
  InChI: InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
  InChIKey: GVMDHCGKOFHSHB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 379514
  TTD ID: D0QP5D

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. 181. Synthesis and biological evaluation of 6,7,2',3',4'-substituted-1,2,3,4-tetrahydro-2-phenyl-4-quinolones as a new class of a... J Med Chem. 1998 Mar 26;41(7):1155-62.