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Ligand

NameCHEMBL1672569
Molecular formulaC25H20ClFN2O2S
IUPAC name1-[[4-[5-[(4-chlorophenyl)methyl]-1,3-benzothiazol-2-yl]-3-fluorophenyl]methyl]azetidine-3-carboxylic acid
Molecular weight466.955
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50336938
1-((4-(5-(4-Chlorobenzyl)benzo[d]thiazol-2-yl)-3-fluorophenyl)methyl)azetidine-3-carboxylic acid
Inchi KeyALVDLBSIUOWXQF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20ClFN2O2S/c26-19-5-1-15(2-6-19)9-16-4-8-23-22(11-16)28-24(32-23)20-7-3-17(10-21(20)27)12-29-13-18(14-29)25(30)31/h1-8,10-11,18H,9,12-14H2,(H,30,31)
PubChem CID53320108
ChEMBLCHEMBL1672569
IUPHARN/A
BindingDB50336938
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8590Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
8589Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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