OSM-S-38

Ligand id: 9708

Name: OSM-S-38

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 71.17
Molecular weight 441.11
XLogP 5.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
(5Z)-2-anilino-5-[[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one
Comments
OSM-S-38 ia an antimalarial lead, developed from a research collaboration employing an open source research mechanism [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
ChEMBL Ligand CHEMBL2113938
GtoPdb PubChem SID 348353667
PubChem CID 57515643
Search Google for chemical match using the InChIKey YBBWTVGRVHTTDD-MOSHPQCFSA-N
Search Google for chemicals with the same backbone YBBWTVGRVHTTDD
Search UniChem for chemical match using the InChIKey YBBWTVGRVHTTDD-MOSHPQCFSA-N
Search UniChem for chemicals with the same backbone YBBWTVGRVHTTDD