Details of the Drug

General Information of Drug (ID: DMBQOW4)

• Drug Name: PMID29671355-Compound-12
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 335.4
  Topological Polar Surface Area (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H13N3O2S
  IUPAC Name: 5-(1-benzothiophen-7-yl)-N-hydroxy-2-phenylpyrazole-3-carboxamide
  Canonical SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC4=C3SC=C4)C(=O)NO
  InChI: InChI=1S/C18H13N3O2S/c22-18(20-23)16-11-15(19-21(16)13-6-2-1-3-7-13)14-8-4-5-12-9-10-24-17(12)14/h1-11,23H,(H,20,22)
  InChIKey: OYRFBDZKQFEJSC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 78425879
  TTD ID: D0UE9B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 4 (HDAC4)	TTTQGH8	HDAC4_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 4 (HDAC4)	DTT	HDAC4	3.51E-03	1.95	1.48

References

• [1] HDAC inhibitors: a 2013-2017 patent survey.Expert Opin Ther Pat. 2018 Apr 19:1-17.