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Ligand

NameMLS001096212
Molecular formulaC22H31N3O3S
IUPAC name4-(azepane-1-carbonyl)-N-(4-ethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
Molecular weight417.568
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsSMR000630921
CHEMBL1332502
BDBM94110
cid_20945642
MolPort-007-835-302
[ Show all ]
Inchi KeyAHEBORQRGXRCEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N3O3S/c1-5-18-10-12-19(13-11-18)23-29(27,28)21-17(3)24(4)16(2)20(21)22(26)25-14-8-6-7-9-15-25/h10-13,23H,5-9,14-15H2,1-4H3
PubChem CID20945642
ChEMBLCHEMBL1332502
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
5465Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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