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Ligand

NameMLS003588096
Molecular formulaC26H29F3N4O5
IUPAC name(2S)-1-[(2S)-1-(3-methylbenzoyl)pyrrolidine-2-carbonyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight534.536
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogPNone
SynonymsCHEMBL2137317
SMR002249821
Inchi KeyAIJFCXFHEPXFRK-GUTACTQSSA-N
Inchi IDInChI=1S/C24H28N4O3.C2HF3O2/c1-17-5-2-6-19(15-17)23(30)28-14-4-8-21(28)24(31)27-13-3-7-20(27)22(29)26-16-18-9-11-25-12-10-18;3-2(4,5)1(6)7/h2,5-6,9-12,15,20-21H,3-4,7-8,13-14,16H2,1H3,(H,26,29);(H,6,7)/t20-,21-;/m0./s1
PubChem CID53300883
ChEMBLCHEMBL2137317
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
6264Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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