Details of the Drug

General Information of Drug (ID: DM745TN)

Drug Name	Aminocyclopentenone compound 4
Synonyms	PMID26924192-Compound-96
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	390.9
	Logarithm of the Partition Coefficient (xlogp)	3.7
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C19H19ClN2O3S IUPAC Name N-[4-chloro-3-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-2-methylbenzenesulfonamide Canonical SMILES CC1=CC=CC=C1S(=O)(=O)NC2=CC(=C(C=C2)Cl)NC3=C(C(=O)CC3)C InChI InChI=1S/C19H19ClN2O3S/c1-12-5-3-4-6-19(12)26(24,25)22-14-7-8-15(20)17(11-14)21-16-9-10-18(23)13(16)2/h3-8,11,21-22H,9-10H2,1-2H3 InChIKey GGISCUHENYTWDU-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 117928624 TTD ID D0N6JZ

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]

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Molecular Interaction Atlas (MIA)

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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

Molecular Expression Atlas (MEA)

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References

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