Details of the Drug

General Information of Drug (ID: DMZ2KUB)

• Drug Name: NSC-683634

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); 347.8
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H14ClN3O
  IUPAC Name: 4-[5-(4-chlorophenyl)-4-pyridin-3-yl-1H-imidazol-2-yl]phenol
  Canonical SMILES: C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C20H14ClN3O/c21-16-7-3-13(4-8-16)18-19(15-2-1-11-22-12-15)24-20(23-18)14-5-9-17(25)10-6-14/h1-12,25H,(H,23,24)
  InChIKey: GOSRVAHFGDUDAX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 388623
  TTD ID: D0HR9S

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.