Details of the Drug

General Information of Drug (ID: DMYHRJD)

• Drug Name: Aminocyclopentenone compound 1
• Synonyms: PMID26924192-Compound-93
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 354.8
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H19ClN2O2
  IUPAC Name: N-[4-chloro-3-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-2-methylbenzamide
  Canonical SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)NC3=C(C(=O)CC3)C
  InChI: InChI=1S/C20H19ClN2O2/c1-12-5-3-4-6-15(12)20(25)22-14-7-8-16(21)18(11-14)23-17-9-10-19(24)13(17)2/h3-8,11,23H,9-10H2,1-2H3,(H,22,25)
  InChIKey: FVUVHLFQVZUBCL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 117928501
  TTD ID: D04HTM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain-containing protein 4 (BRD4)	TTRA6BO	BRD4_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Bromodomain-containing protein 4 (BRD4)	DTT	BRD4	3.27E-01	0.02	0.04

References

• [1] BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.