Details of the Drug

General Information of Drug (ID: DMPW9ES)

• Drug Name: Aminocyclopentenone compound 5
• Synonyms: PMID26924192-Compound-97
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 383.9
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C17H22ClN3O3S
  IUPAC Name: N-[4-chloro-3-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]piperidine-1-sulfonamide
  Canonical SMILES: CC1=C(CCC1=O)NC2=C(C=CC(=C2)NS(=O)(=O)N3CCCCC3)Cl
  InChI: InChI=1S/C17H22ClN3O3S/c1-12-15(7-8-17(12)22)19-16-11-13(5-6-14(16)18)20-25(23,24)21-9-3-2-4-10-21/h5-6,11,19-20H,2-4,7-10H2,1H3
  InChIKey: SJCLYADRAFNYBC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 117928680
  TTD ID: D09QSH

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.