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VPC44116 , CAS No.1161429-70-4, Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor;Agonist of S1P 5 receptor
Basic Description
Synonyms | VPC-44116 |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | AGONIST, ANTAGONIST |
Mechanism of action | Antagonist of S1P 1 receptor;Antagonist of S1P 3 receptor;Agonist of S1P 5 receptor |
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Associated Targets(Human)
Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
IUPAC Name | [(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid |
INCHI | InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-9-15-10-8-11-16(14-15)20-18(21)17(19)12-13-25(22,23)24/h8,10-11,14,17H,2-7,9,12-13,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1 |
InChi Key | FMLHSOGKNHADEE-QGZVFWFLSA-N |
Canonical SMILES | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N |
Isomeric SMILES | CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](CCP(=O)(O)O)N |
PubChem CID | 11545181 |
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