Details of the Drug

General Information of Drug (ID: DM0JNO2)

• Drug Name: N-hydroxy-6-oxo-6-phenylhexanamide
• Synonyms: CHEMBL95152; N-hydroxy-6-oxo-6-phenylhexanamide; SCHEMBL1521154; BDBM50114819; 6-Oxo-6-phenyl-hexanoic 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); 221.25
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H15NO3
  IUPAC Name: N-hydroxy-6-oxo-6-phenylhexanamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCCC(=O)NO
  InChI: InChI=1S/C12H15NO3/c14-11(10-6-2-1-3-7-10)8-4-5-9-12(15)13-16/h1-3,6-7,16H,4-5,8-9H2,(H,13,15)
  InChIKey: XCXZDISEAMNYJL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11031415
  TTD ID: D0L4ML

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.