compound 43 [PMID: 26751273]

Ligand id: 9492

Name: compound 43 [PMID: 26751273]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 121.61
Molecular weight 461.13
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propanoic acid
Database Links
PubChem CID 49848557
Search Google for chemical match using the InChIKey BGAJNPLDJJBRHK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BGAJNPLDJJBRHK
Search UniChem for chemical match using the InChIKey BGAJNPLDJJBRHK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BGAJNPLDJJBRHK
Comments
Compound 43 [PMID: 26751273] is an orally active tetrahydropyrazolopyridine sphingosine 1-phosphate receptor 3 (S1P3R)-sparing S1P1R agonist [1].