Details of the Drug

General Information of Drug (ID: DMQW7JZ)

• Drug Name: N-hydroxy-7-oxo-7-phenylheptanamide
• Synonyms: CHEMBL95916; N-hydroxy-7-oxo-7-phenylheptanamide; SCHEMBL1521257; BDBM50114832; 7-Oxo-7-phenyl-heptanoic 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); 235.28
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H17NO3
  IUPAC Name: N-hydroxy-7-oxo-7-phenylheptanamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCCCC(=O)NO
  InChI: InChI=1S/C13H17NO3/c15-12(11-7-3-1-4-8-11)9-5-2-6-10-13(16)14-17/h1,3-4,7-8,17H,2,5-6,9-10H2,(H,14,16)
  InChIKey: IHUNPXAEVKBAPH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10998964
  TTD ID: D0QX6R

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.