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Ligand

NameEtrasimod
Molecular formulaC26H26F3NO3
IUPAC name2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
Molecular weight457.493
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.4
Synonyms(R)-2-(7-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
(R)-2-(7-(4-Cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta(b)indol-3-yl) acetic acid
(R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
1206123-37-6
2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
[ Show all ]
Inchi KeyMVGWUTBTXDYMND-QGZVFWFLSA-N
Inchi IDInChI=1S/C26H26F3NO3/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/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
PubChem CID44623998
ChEMBLCHEMBL3358920
IUPHAR9331
BindingDB50041691
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
450150Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
450147Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
450148Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
450149Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
450145Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
450146Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
450152Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
450151Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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