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Ligand

NameCHEMBL375488
Molecular formulaC25H24F3NO3S
IUPAC name1-[[3-ethyl-4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight475.526
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50158347
1-(3-ethyl-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid
Inchi KeyCVKVCJXTRKKPRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24F3NO3S/c1-2-17-10-16(12-29-13-19(14-29)24(30)31)8-9-22(17)32-15-20-11-21(18-6-4-3-5-7-18)23(33-20)25(26,27)28/h3-11,19H,2,12-15H2,1H3,(H,30,31)
PubChem CID11271470
ChEMBLCHEMBL375488
IUPHARN/A
BindingDB50158347
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51563Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
51562Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
51561Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
51564Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
51565Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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