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Ligand

NameCHEMBL1950562
Molecular formulaC25H22FN3O2S
IUPAC name4-[3-fluoro-4-[5-(1-phenylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]anilino]butanoic acid
Molecular weight447.528
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.5
SynonymsSCHEMBL1661828
AKZSHTFFWDWNND-UHFFFAOYSA-N
BDBM50364420
4-(3-fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenylamino)butanoic acid
Inchi KeyAKZSHTFFWDWNND-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22FN3O2S/c26-19-15-17(27-14-4-7-22(30)31)8-9-18(19)23-28-20-10-11-21(29-24(20)32-23)25(12-13-25)16-5-2-1-3-6-16/h1-3,5-6,8-11,15,27H,4,7,12-14H2,(H,30,31)
PubChem CID44599687
ChEMBLCHEMBL1950562
IUPHARN/A
BindingDB50364420
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
8061Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
8060Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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