Details of the Drug

General Information of Drug (ID: DMRY6B4)

Drug Name
4-Butyrylamino-N-hydroxy-benzamide
Synonyms CHEMBL142254; 656261-22-2; Benzamide, N-hydroxy-4-[(1-oxobutyl)amino]-; SCHEMBL675234; CTK1J6159; DTXSID90461262
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 222.24
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H14N2O3
IUPAC Name
4-(butanoylamino)-N-hydroxybenzamide
Canonical SMILES
CCCC(=O)NC1=CC=C(C=C1)C(=O)NO
InChI
InChI=1S/C11H14N2O3/c1-2-3-10(14)12-9-6-4-8(5-7-9)11(15)13-16/h4-7,16H,2-3H2,1H3,(H,12,14)(H,13,15)
InChIKey
WASGGDMUCRMECJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11287488
ChEBI ID
CHEMBL142254
CAS Number
656261-22-2
TTD ID
D05LLX
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors. J Med Chem. 2004 Jan 15;47(2):467-74.