Details of the Drug

General Information of Drug (ID: DM2JF0T)

• Drug Name: PMID28092474-Compound-32t
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H20N4O3
  IUPAC Name: N-hydroxy-4-[[(3-methoxypyridin-2-yl)-(5-methylpyridin-2-yl)amino]methyl]benzamide
  Canonical SMILES: CC1=CN=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NO)C3=C(C=CC=N3)OC
  InChI: InChI=1S/C20H20N4O3/c1-14-5-10-18(22-12-14)24(19-17(27-2)4-3-11-21-19)13-15-6-8-16(9-7-15)20(25)23-26/h3-12,26H,13H2,1-2H3,(H,23,25)
  InChIKey: JGXHNVLWEATQAQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86282179
  TTD ID: D0CX1Y

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]
Histone deacetylase 6 (HDAC6)	TT5ZKDI	HDAC6_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 1 (HDAC1)	DTT	HDAC1	1.54E-06	0.66	4.44
Histone deacetylase 6 (HDAC6)	DTT	HDAC6	6.91E-02	0.27	0.79

References

• [1] Novel histone deacetylase 6 (HDAC6) selective inhibitors: a patent evaluation (WO2014181137).Expert Opin Ther Pat. 2017 Mar;27(3):229-236.