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Ligand

NameSCHEMBL2948159
Molecular formulaC22H25ClO3S
IUPAC name3-[2-chloro-4-(2-hydroxyethoxy)phenyl]-1-[(2S,4R)-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-dien-7-yl]propan-1-one
Molecular weight404.949
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
SynonymsCHEMBL3103663
Inchi KeyAARLLBMOTZFNIP-OXQOHEQNSA-N
Inchi IDInChI=1S/C22H25ClO3S/c1-12-19-15(11-16-20(19)22(16,2)3)21(27-12)18(25)7-5-13-4-6-14(10-17(13)23)26-9-8-24/h4,6,10,16,20,24H,5,7-9,11H2,1-3H3/t16-,20-/m1/s1
PubChem CID11495124
ChEMBLCHEMBL3103663
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
462Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
461Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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