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Ligand

NameMLS001116607
Molecular formulaC30H42FN5O3
IUPAC nametert-butyl 4-[4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate
Molecular weight539.696
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsCHEMBL1391465
MolPort-007-774-491
HMS2928C13
AKOS001951854
MCULE-3056455347
[ Show all ]
Inchi KeyABGHVPSECKVUIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H42FN5O3/c1-30(2,3)39-29(38)34-16-13-22(14-17-34)27-26(19-33-36(27)25-10-8-23(31)9-11-25)28(37)32-18-21-12-15-35(20-21)24-6-4-5-7-24/h8-11,19,21-22,24H,4-7,12-18,20H2,1-3H3,(H,32,37)
PubChem CID24818834
ChEMBLCHEMBL1391465
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
836Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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