Details of the Drug

General Information of Drug (ID: DMVOCWY)

• Drug Name: 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide
• Synonyms: CHEMBL319070; 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide; SCHEMBL3382402; RFYYZRFJBNAHCG-UHFFFAOYSA-N; BDBM50114817; n-hydroxy-7-(4-bromobenzoyl)heptanamide; 8-(4-Bromo-phenyl)-8-oxo-octanoic acid hydroxyamide

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); 328.2
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H18BrNO3
  IUPAC Name: 8-(4-bromophenyl)-N-hydroxy-8-oxooctanamide
  Canonical SMILES: C1=CC(=CC=C1C(=O)CCCCCCC(=O)NO)Br
  InChI: InChI=1S/C14H18BrNO3/c15-12-9-7-11(8-10-12)13(17)5-3-1-2-4-6-14(18)16-19/h7-10,19H,1-6H2,(H,16,18)
  InChIKey: RFYYZRFJBNAHCG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11120992
  TTD ID: D0GJ1E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 1 (HDAC1)	DTT	HDAC1	6.27E-01	0.11	0.33

References

• [1] 3D-QSAR studies of HDACs inhibitors using pharmacophore-based alignment. Eur J Med Chem. 2009 Jul;44(7):2868-76.