OSM-S-38

Ligand id: 9708

Name: OSM-S-38

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 71.69
Molecular weight 441.11
XLogP 8.15
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. This compound is from a subseries with high potency, including against gametocyte and liver stages, but low solubility [1]. Background information on this publication is included in this blog post.

Potential Target/Mechanism Of Action: OSM-S-38 is from a series that is not yet target mapped.
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