BML-281

Ligand id: 9664

Name: BML-281

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 142.79
Molecular weight 446.22
XLogP 3.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate
Synonyms
compound 3 [PMID: 18642892]
Comments
BML-281 is an experimental selective HDAC6/3 inhibitor [2], that has demonstrated anti-inflammatory activity in a murine model of colonic inflammation [1].
Database Links
BindingDB Ligand 50261816
CAS Registry No. 1045792-66-2 (source: PubChem)
ChEMBL Ligand CHEMBL511749
GtoPdb PubChem SID 348353623
PubChem CID 24951314
Search Google for chemical match using the InChIKey WWGBHDIHIVGYLZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WWGBHDIHIVGYLZ
Search UniChem for chemical match using the InChIKey WWGBHDIHIVGYLZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WWGBHDIHIVGYLZ