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Ligand

NameCHEMBL3601781
Molecular formulaC17H20BrN7O3
IUPAC nameN-[(2S)-3-(4-bromo-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methylpyrazine-2-carboxamide
Molecular weight450.297
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP0.0
SynonymsBDBM50109041
Inchi KeyJDIARTVEJLXNKZ-AAEUAGOBSA-N
Inchi IDInChI=1S/C17H20BrN7O3/c1-9-6-21-12(7-20-9)16(27)24-11(5-10-14(18)23-8-22-10)17(28)25-4-2-3-13(25)15(19)26/h6-8,11,13H,2-5H2,1H3,(H2,19,26)(H,22,23)(H,24,27)/t11-,13-/m0/s1
PubChem CID122185153
ChEMBLCHEMBL3601781
IUPHARN/A
BindingDB50109041
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
481206Thyrotropin-releasing hormone receptorP21761TrhrMus musculus (Mouse)393

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