Details of the Drug

General Information of Drug (ID: DMUXZL1)

• Drug Name: N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
• Synonyms: CHEMBL95990; N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide; SCHEMBL1521117; NIGGAQZXTHMKPL-UHFFFAOYSA-N; BDBM50114822; N-Hydroxy-6-(4-methoxybenzoyl)hexanamide; 7-(4-Methoxy-phenyl)-7-oxo-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); 265.3
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H19NO4
  IUPAC Name: N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
  Canonical SMILES: COC1=CC=C(C=C1)C(=O)CCCCCC(=O)NO
  InChI: InChI=1S/C14H19NO4/c1-19-12-9-7-11(8-10-12)13(16)5-3-2-4-6-14(17)15-18/h7-10,18H,2-6H2,1H3,(H,15,17)
  InChIKey: NIGGAQZXTHMKPL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10858374
  TTD ID: D0K8MF

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.