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Ligand

NameCHEMBL3601782
Molecular formulaC16H19BrN8O3
IUPAC name3-amino-N-[(2S)-3-(4-bromo-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazine-2-carboxamide
Molecular weight451.285
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-0.2
SynonymsBDBM50109040
Inchi KeyJQKWWZFDAHSXFS-UWVGGRQHSA-N
Inchi IDInChI=1S/C16H19BrN8O3/c17-12-8(22-7-23-12)6-9(16(28)25-5-1-2-10(25)14(19)26)24-15(27)11-13(18)21-4-3-20-11/h3-4,7,9-10H,1-2,5-6H2,(H2,18,21)(H2,19,26)(H,22,23)(H,24,27)/t9-,10-/m0/s1
PubChem CID122185154
ChEMBLCHEMBL3601782
IUPHARN/A
BindingDB50109040
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
482357Thyrotropin-releasing hormone receptorP21761TrhrMus musculus (Mouse)393

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