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Ligand

NameSCHEMBL805715
Molecular formulaC29H29F2N3O2
IUPAC name1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-propan-2-ylindole-3-carboxamide
Molecular weight489.567
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM101209
CHEMBL3659680
US8524917, 182
Inchi KeyAGCSCYUABDUONY-HNSNBQBZSA-N
Inchi IDInChI=1S/C29H29F2N3O2/c1-18(2)28-27(29(35)32-16-21-10-13-24(30)25(31)14-21)23-12-11-22(19(3)33-36-4)15-26(23)34(28)17-20-8-6-5-7-9-20/h5-15,18H,16-17H2,1-4H3,(H,32,35)/b33-19+
PubChem CID44233497
ChEMBLCHEMBL3659680
IUPHARN/A
BindingDB101209
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
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GLASS IDNameUniProtGeneSpeciesLength
4773Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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