Details of the Drug

General Information of Drug (ID: DM8Z4L0)

• Drug Name: N-hydroxy-7-(naphthalen-2-yl)-7-oxoheptanamide
• Synonyms: CHEMBL320909; N-hydroxy-7-(naphthalen-2-yl)-7-oxoheptanamide; SCHEMBL1520961; AQLMJRZLPWGPGD-UHFFFAOYSA-N; BDBM50114827; N-Hydroxy-6-(2-naphthoyl)hexanamide; 7-Naphthalen-2-yl-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); 285.34
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H19NO3
  IUPAC Name: N-hydroxy-7-naphthalen-2-yl-7-oxoheptanamide
  Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CCCCCC(=O)NO
  InChI: InChI=1S/C17H19NO3/c19-16(8-2-1-3-9-17(20)18-21)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,21H,1-3,8-9H2,(H,18,20)
  InChIKey: AQLMJRZLPWGPGD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11129854
  TTD ID: D03FFI

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.