Details of the Drug

General Information of Drug (ID: DMALXYR)

• Drug Name: PMID29671355-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 427.5
  Topological Polar Surface Area (xlogp); 4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H25N3O3
  IUPAC Name: 4-[[2-ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide
  Canonical SMILES: CCC1=NC2=C(C=C(C=C2)CC3=CC=C(C=C3)C(=O)NO)C(=O)N1CCC4=CC=CC=C4
  InChI: InChI=1S/C26H25N3O3/c1-2-24-27-23-13-10-20(16-19-8-11-21(12-9-19)25(30)28-32)17-22(23)26(31)29(24)15-14-18-6-4-3-5-7-18/h3-13,17,32H,2,14-16H2,1H3,(H,28,30)
  InChIKey: VLBQAJZSHGGUBQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71811260
  TTD ID: D0ZG5X

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]
Histone deacetylase 8 (HDAC8)	TTT6LFV	HDAC8_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

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