Details of the Drug

General Information of Drug (ID: DMAYHNI)

Drug Name	Aminocyclopentenone compound 2
Synonyms	PMID26924192-Compound-94
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)	4.9
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C23H19ClN2O2 IUPAC Name N-[4-chloro-3-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]naphthalene-1-carboxamide Canonical SMILES CC1=C(CCC1=O)NC2=C(C=CC(=C2)NC(=O)C3=CC=CC4=CC=CC=C43)Cl InChI InChI=1S/C23H19ClN2O2/c1-14-20(11-12-22(14)27)26-21-13-16(9-10-19(21)24)25-23(28)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13,26H,11-12H2,1H3,(H,25,28) InChIKey HRGRBMHGQQBNSK-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 117928438 TTD ID D08JHQ

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 Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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)

Jump to Detail Molecular Expression Atlas of This Drug

References

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