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Ligand

NameSCHEMBL786387
Molecular formulaC28H26F2N2O2
IUPAC name1-benzyl-2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]-5-hydroxyindole-3-carboxamide
Molecular weight460.525
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.9
SynonymsUS8563594, 166
CHEMBL3651725
BDBM103616
Inchi KeyACJAPISBRPGZRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26F2N2O2/c29-23-12-10-19(14-24(23)30)16-31-28(34)26-22-15-21(33)11-13-25(22)32(17-18-6-2-1-3-7-18)27(26)20-8-4-5-9-20/h1-3,6-7,10-15,20,33H,4-5,8-9,16-17H2,(H,31,34)
PubChem CID59504172
ChEMBLCHEMBL3651725
IUPHARN/A
BindingDB103616
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
1620Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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