Details of the Drug

General Information of Drug (ID: DM2I95Z)

• Drug Name: 6-benzenesulfinylhexanoic acid hydroxamide
• Synonyms: 6-(benzenesulfinyl)hexanoic acid hydroxyamide; 875737-03-4; 6-benzenesulfinylhexanoic acid hydroxamide

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); 255.34
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H17NO3S
  IUPAC Name: 6-(benzenesulfinyl)-N-hydroxyhexanamide
  Canonical SMILES: C1=CC=C(C=C1)S(=O)CCCCCC(=O)NO
  InChI: InChI=1S/C12H17NO3S/c14-12(13-15)9-5-2-6-10-17(16)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
  InChIKey: LIZWRHXVIWNMIS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11694528
  TTD ID: D00ZSD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[1]
Histone deacetylase 10 (HDAC10)	TTYHPU6	HDA10_HUMAN	Inhibitor	[1]
Histone deacetylase 2 (HDAC2)	TTSHTOI	HDAC2_HUMAN	Inhibitor	[1]
Histone deacetylase 4 (HDAC4)	TTTQGH8	HDAC4_HUMAN	Inhibitor	[1]
Histone deacetylase 6 (HDAC6)	TT5ZKDI	HDAC6_HUMAN	Inhibitor	[1]
Histone deacetylase 8 (HDAC8)	TTT6LFV	HDAC8_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] Aromatic sulfide inhibitors of histone deacetylase based on arylsulfinyl-2,4-hexadienoic acid hydroxyamides. J Med Chem. 2006 Jan 26;49(2):800-5.