TMP269

Ligand id: 7491

Name: TMP269

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 118.38
Molecular weight 514.13
XLogP 7.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
Synonyms
compound 1 [PMID: 23524983] [1] | TMFO1 | TMP 269 | TMP-269
Database Links
CAS Registry No. 1314890-29-3 (source: Scifinder)
ChEMBL Ligand CHEMBL3110004
PubChem CID 53344908
RCSB PDB Ligand NU9
Search Google for chemical match using the InChIKey HORXBWNTEDOVKN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HORXBWNTEDOVKN
Search UniChem for chemical match using the InChIKey HORXBWNTEDOVKN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HORXBWNTEDOVKN
Comments
TMP269 is a histone deacetylase (HDAC) inhibitor with specificity for class IIa HDACs (HDACs 4, 5, 7 and 9) [1].