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Ligand

NameCHEMBL3353515
Molecular formulaC27H27N3O4S
IUPAC name4-[[1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-(1H-indol-6-ylmethyl)amino]butanoic acid
Molecular weight489.59
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL11328790
BDBM50032341
Inchi KeyHMYAHZHPXKUDGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N3O4S/c1-27(11-14-30(27)25(33)21-17-35-23-6-3-2-5-20(21)23)26(34)29(13-4-7-24(31)32)16-18-8-9-19-10-12-28-22(19)15-18/h2-3,5-6,8-10,12,15,17,28H,4,7,11,13-14,16H2,1H3,(H,31,32)
PubChem CID70564643
ChEMBLCHEMBL3353515
IUPHARN/A
BindingDB50032341
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
446390Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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