CYM-5541

Ligand id: 9494

Name: CYM-5541

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 46.34
Molecular weight 316.22
XLogP 4.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
Synonyms
CYM5541 | ML249
Database Links
CAS Registry No. 945128-26-7 (source: PubChem)
ChEMBL Ligand CHEMBL1970071
GtoPdb PubChem SID 329968434
PubChem CID 17253208
Search Google for chemical match using the InChIKey NDKGACIWVAOUQH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NDKGACIWVAOUQH
Search UniChem for chemical match using the InChIKey NDKGACIWVAOUQH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NDKGACIWVAOUQH
Comments
CYM-5541 is a selective sphingosine-1-phosphate 3 receptor (S1P3R) positive allosteric modulator [1].