CHEBI:229231 - etrasimod arginine

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ChEBI Name etrasimod arginine
ChEBI ID CHEBI:229231
Definition An organoammonium salt obtained by combining etrasimod with one molar equivalent of L-arginine. It is a sphingosine 1-phosphate receptor modulator approved for the treatment of moderately to severely active ulcerative colitis in adults.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H26F3NO3.C6H14N4O2
Net Charge 0
Average Mass 631.697
Monoisotopic Mass 631.29815
InChI InChI=1S/C26H26F3NO3.C6H14N4O2/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23;7-4(5(11)12)2-1-3-10-6(8)9/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t17-;4-/m10/s1
InChIKey GVPVVOSNDUAUKM-BPGOJFKZSA-N
SMILES N[C@@H](CCCNC(N)=N)C(O)=O.OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1
Roles Classification
Biological Role(s): immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
sphingosine-1-phosphate receptor 1 antagonist
Any sphingosine-1-phosphate receptor (S1PR) antagonist that acts as an antagonist for the subtype 1 receptors (S1PR1).
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
immunosuppressive agent
An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing etrasimod arginine (CHEBI:229231) has part L-argininium(1+) (CHEBI:32682)
etrasimod arginine (CHEBI:229231) has part etrasimod(1−) (CHEBI:229232)
etrasimod arginine (CHEBI:229231) has role anti-inflammatory drug (CHEBI:35472)
etrasimod arginine (CHEBI:229231) has role immunosuppressive agent (CHEBI:35705)
etrasimod arginine (CHEBI:229231) has role sphingosine-1-phosphate receptor 1 antagonist (CHEBI:144998)
etrasimod arginine (CHEBI:229231) is a organoammonium salt (CHEBI:46850)
IUPAC Name
L-arginine—[(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid (1/1)
Synonyms Sources
APD 334 L-arginine ChEBI
APD334 arginine DrugBank
APD334 L-arginine DrugBank
etrasimod L-arginine DrugBank
L-arginine salt of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid ChEBI
L-arginine, (3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopent[b]indole-3-acetate (1:1) ChEBI
PF-07915503 ChEBI
PF-07915503-94 ChEBI
PF-07915503-94-0003 ChEBI
Brand Name Source
Velsipity KEGG DRUG
Manual Xrefs Databases
D10931 KEGG DRUG
DBSALT003430 DrugBank
View more database links
Registry Number Type Source
1206123-97-8 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
37983118 PubMed citation Europe PMC
38258760 PubMed citation Europe PMC
38388871 PubMed citation Europe PMC
Last Modified
16 April 2024