SAR247799   Click here for help

GtoPdb Ligand ID: 10938

Compound class: Synthetic organic
Comment: Biased agonist of the S1P1 receptor which preferentially activates downstream G protein signaling to a greater extent than β-arrestin and internalization signaling pathways.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 107.57
Molecular weight 425.08
XLogP 4.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl
Isomeric SMILES OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl
InChI InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27)
InChI Key WRBZNIUFAKIIQG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[5-(3-chlorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethylphenoxy]acetic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand SAR247799
Other databases
GtoPdb PubChem SID 405560379
PubChem CID 53312127
Search Google for chemical match using the InChIKey WRBZNIUFAKIIQG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WRBZNIUFAKIIQG
UniChem Compound Search for chemical match using the InChIKey WRBZNIUFAKIIQG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WRBZNIUFAKIIQG-UHFFFAOYSA-N