Details of the Drug

General Information of Drug (ID: DMH7QOF)

• Drug Name: N-[5-(Formyl-hydroxy-amino)-pentyl]-benzamide
• Synonyms: CHEMBL337584; N-[5-(Formyl-hydroxy-amino)-pentyl]-benzamide; TWZ-109

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); 250.29
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H18N2O3
  IUPAC Name: N-[5-[formyl(hydroxy)amino]pentyl]benzamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)NCCCCCN(C=O)O
  InChI: InChI=1S/C13H18N2O3/c16-11-15(18)10-6-2-5-9-14-13(17)12-7-3-1-4-8-12/h1,3-4,7-8,11,18H,2,5-6,9-10H2,(H,14,17)
  InChIKey: XZVIJIAWKVHBTR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44359538
  TTD ID: D0X4VO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 6 (HDAC6)	TT5ZKDI	HDAC6_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 6 (HDAC6)	DTT	HDAC6	6.91E-02	0.27	0.79

References

• [1] Design, synthesis, and activity of HDAC inhibitors with a N-formyl hydroxylamine head group. Bioorg Med Chem Lett. 2004 Jan 19;14(2):449-53.