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Ligand

NameCHEMBL1938927
Molecular formulaC26H24FN3O2S
IUPAC name1-[[3-fluoro-4-[6-(1-pyridin-2-ylpropyl)-1,3-benzothiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
Molecular weight461.555
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50361881
Inchi KeyADQHYBHAWCALRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FN3O2S/c1-2-19(22-5-3-4-10-28-22)17-7-9-23-24(12-17)33-25(29-23)20-8-6-16(11-21(20)27)13-30-14-18(15-30)26(31)32/h3-12,18-19H,2,13-15H2,1H3,(H,31,32)
PubChem CID57402358
ChEMBLCHEMBL1938927
IUPHARN/A
BindingDB50361881
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
2971Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
2970Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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