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Ligand

NameCHEMBL1950564
Molecular formulaC26H24FN3O2S
IUPAC name4-[[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]methylamino]butanoic acid
Molecular weight461.555
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL1662181
BDBM50364423
Inchi KeyADQCMQKHRUBGRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FN3O2S/c27-20-15-17(16-28-14-4-7-23(31)32)8-9-19(20)24-29-21-10-11-22(30-25(21)33-24)26(12-13-26)18-5-2-1-3-6-18/h1-3,5-6,8-11,15,28H,4,7,12-14,16H2,(H,31,32)
PubChem CID44600329
ChEMBLCHEMBL1950564
IUPHARN/A
BindingDB50364423
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
2962Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
2963Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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