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Ligand

NameSCHEMBL4685937
Molecular formulaC22H25ClO3S
IUPAC name3-[3-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
SynonymsCHEMBL3103668
Inchi KeyAYUVQBYXBMAVRT-FOIQADDNSA-N
Inchi IDInChI=1S/C22H25ClO3S/c1-12-19-14(11-15-20(19)22(15,2)3)21(27-12)17(25)6-4-13-5-7-18(16(23)10-13)26-9-8-24/h5,7,10,15,20,24H,4,6,8-9,11H2,1-3H3/t15-,20-/m1/s1
PubChem CID69144360
ChEMBLCHEMBL3103668
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
17806Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
17807Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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