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Ligand

NameCHEMBL605330
Molecular formulaC24H22F3NO3S
IUPAC name4-[(1S)-1-[[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]ethyl]benzoic acid
Molecular weight461.499
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50308127
SCHEMBL2353345
4-{(1S)-1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]ethyl}benzoic Acid
Inchi KeyDLMXCAVYRXOLRT-ZDUSSCGKSA-N
Inchi IDInChI=1S/C24H22F3NO3S/c1-13(17-7-9-18(10-8-17)23(30)31)28-22(29)21-15(3)32-14(2)20(21)12-16-5-4-6-19(11-16)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,28,29)(H,30,31)/t13-/m0/s1
PubChem CID24953625
ChEMBLCHEMBL605330
IUPHARN/A
BindingDB50308127
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
63136Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
63128Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
63129Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
63134Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
63133Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
63135Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
63130Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
63132Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
63131Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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