Details of the Drug

General Information of Drug (ID: DMD6VSY)

• Drug Name: 8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide
• Synonyms: CHEMBL95313; 8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide; SCHEMBL1520838; BDBM50114816; 8-Biphenyl-4-yl-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); 325.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H23NO3
  IUPAC Name: N-hydroxy-8-oxo-8-(4-phenylphenyl)octanamide
  Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCCCCCC(=O)NO
  InChI: InChI=1S/C20H23NO3/c22-19(10-6-1-2-7-11-20(23)21-24)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-5,8-9,12-15,24H,1-2,6-7,10-11H2,(H,21,23)
  InChIKey: LZZJBJLIOVNVKE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10314237
  TTD ID: D0A6CB

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.