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Ligand

NameSCHEMBL3041361
Molecular formulaC19H27NO3
IUPAC name1-[(4-heptanoylphenyl)methyl]pyrrolidine-3-carboxylic acid
Molecular weight317.429
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.3
SynonymsCHEMBL3740964
Inchi KeyDHXVCPITKDMKKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27NO3/c1-2-3-4-5-6-18(21)16-9-7-15(8-10-16)13-20-12-11-17(14-20)19(22)23/h7-10,17H,2-6,11-14H2,1H3,(H,22,23)
PubChem CID59451808
ChEMBLCHEMBL3740964
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
523304Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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