bufexamac   Click here for help

GtoPdb Ligand ID: 7498

Synonyms: CP-1044-J3 | Paraderm® | Parfenac®
Approved drug PDB Ligand
bufexamac is an approved drug
Compound class: Synthetic organic
Comment: In addition to inhibition of COX enzymes, this drug has been discovered to inhibit class IIb HDACs (ie HDACs 6 and 10) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.56
Molecular weight 223.12
XLogP 2.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOc1ccc(cc1)CC(=O)NO
Isomeric SMILES CCCCOc1ccc(cc1)CC(=O)NO
InChI InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChI Key MXJWRABVEGLYDG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name Click here for help
2-(4-butoxyphenyl)-N-hydroxyacetamide
International Nonproprietary Names Click here for help
INN number INN
2557 bufexamac
Synonyms Click here for help
CP-1044-J3 | Paraderm® | Parfenac®
Database Links Click here for help
CAS Registry No. 2438-72-4
ChEBI CHEBI:31317
ChEMBL Ligand CHEMBL94394
DrugCentral Ligand 3047
GtoPdb PubChem SID 187051800
PubChem CID 2466
RCSB PDB Ligand A4Z
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Wikipedia Bufexamac