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Ligand

NameSCHEMBL4886369
Molecular formulaC28H29F2N3O2
IUPAC nameN-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-3-ylmethyl)indole-3-carboxamide
Molecular weight477.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsCHEMBL3655476
BDBM101122
US8524917, 95
Inchi KeyAMPDFAFYHKZPQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29F2N3O2/c1-17(2)27-26(28(34)32-15-19-7-10-23(29)24(30)12-19)22-9-8-21(35-18(3)4)13-25(22)33(27)16-20-6-5-11-31-14-20/h5-14,17-18H,15-16H2,1-4H3,(H,32,34)
PubChem CID59762277
ChEMBLCHEMBL3655476
IUPHARN/A
BindingDB101122
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9120Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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