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Ligand

NameCHEMBL3359523
Molecular formulaC24H23ClF3NO4
IUPAC name2-[(3R)-4-chloro-6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Molecular weight481.896
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsSCHEMBL2018583
RLGFHVZCVPTTLP-OAHLLOKOSA-N
BDBM50041983
(R)-2-(9-chloro-7-(4-isopropoxy-3-(trifluoromethyl)benzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic acid
Inchi KeyRLGFHVZCVPTTLP-OAHLLOKOSA-N
Inchi IDInChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1
PubChem CID53362086
ChEMBLCHEMBL3359523
IUPHARN/A
BindingDB50041983
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
453552Sphingosine 1-phosphate receptor 1P48303S1pr1Rattus norvegicus (Rat)383
453554Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
453555Sphingosine 1-phosphate receptor 1O08530S1pr1Mus musculus (Mouse)382
453557Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
453556Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
453558Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
453553Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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