Details of the Drug

General Information of Drug (ID: DMC79YF)

• Drug Name: MR-20494
• Synonyms: MR-20494; CHEMBL1098737; BDBM50318405

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); 334.8
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C20H15ClN2O
  IUPAC Name: (7Z)-6-(4-chlorophenyl)-7-(pyridin-3-ylmethylidene)-5,6-dihydroindolizin-8-one
  Canonical SMILES: C1C(/C(=C/C2=CN=CC=C2)/C(=O)C3=CC=CN31)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C20H15ClN2O/c21-16-7-5-15(6-8-16)18-13-23-10-2-4-19(23)20(24)17(18)11-14-3-1-9-22-12-14/h1-12,18H,13H2/b17-11-
  InChIKey: UQXVMFWGYFYXDC-BOPFTXTBSA-N
• Cross-matching ID:
  PubChem CID: 10019821
  TTD ID: D02LTV

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] Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.