Details of the Drug

General Information of Drug (ID: DMNMF0C)

• Drug Name: NSC-666292
• Synonyms: CHEMBL495565; BDBM50265440

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); 337.8
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H16ClN5
  IUPAC Name: 6-chloro-5-imidazol-1-yl-3-(2-imidazol-1-ylethyl)-2-methylquinoline
  Canonical SMILES: CC1=NC2=C(C=C1CCN3C=CN=C3)C(=C(C=C2)Cl)N4C=CN=C4
  InChI: InChI=1S/C18H16ClN5/c1-13-14(4-7-23-8-5-20-11-23)10-15-17(22-13)3-2-16(19)18(15)24-9-6-21-12-24/h2-3,5-6,8-12H,4,7H2,1H3
  InChIKey: IYLACPJLCQDSFP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44580826
  TTD ID: D0T3ED

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

References

• [1] Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50.