Details of the Drug

General Information of Drug (ID: DMY6Z0U)

Drug Name
N-hydroxy-3-(naphthalen-1-yl)acrylamide
Synonyms CHEMBL245548; N-hydroxy-3-(naphthalen-1-yl)acrylamide; SCHEMBL14106948; BDBM50207560; (E)-3-(1-Naphthalenyl)-2-propenehydroximic acid
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) 213.23
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H11NO2
IUPAC Name
(E)-N-hydroxy-3-naphthalen-1-ylprop-2-enamide
Canonical SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)NO
InChI
InChI=1S/C13H11NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9,16H,(H,14,15)/b9-8+
InChIKey
AOXOYUCWJCCUDO-CMDGGOBGSA-N
Cross-matching ID
PubChem CID
24880249
TTD ID
D0V1HA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase 8 (HDAC8) TTT6LFV HDAC8_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and evaluation of 'Linkerless' hydroxamic acids as selective HDAC8 inhibitors. Bioorg Med Chem Lett. 2007 May 15;17(10):2874-8.