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Ligand

NameCHEMBL3779931
Molecular formulaC18H25BrN6O4
IUPAC name(2S)-N-[(2S)-3-(2-bromo-1-ethylimidazol-4-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight469.34
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.8
SynonymsBDBM50158409
Inchi KeyINHQNOSKEMHHAM-AVGNSLFASA-N
Inchi IDInChI=1S/C18H25BrN6O4/c1-2-24-9-10(21-18(24)19)8-12(23-16(28)11-5-6-14(26)22-11)17(29)25-7-3-4-13(25)15(20)27/h9,11-13H,2-8H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1
PubChem CID127032260
ChEMBLCHEMBL3779931
IUPHARN/A
BindingDB50158409
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525480Thyrotropin-releasing hormone receptorP21761TrhrMus musculus (Mouse)393

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