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Ligand

NameCHEMBL389955
Molecular formulaC21H31N5O4
IUPAC name(2S)-1-[(2S)-3-(2-tert-butyl-1H-imidazol-5-yl)-2-[[(1S)-3-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Molecular weight417.51
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.4
SynonymsBDBM50196453
(2S)-1-[(2S)-2-(1S)-3-oxocyclopentylcarboxamido]-3-(2-tert-butyl-1H-imidazolyl)propanoyl]azalone-2-carboxamide
Inchi KeyKTHCCJBWKFJHQW-RCBQFDQVSA-N
Inchi IDInChI=1S/C21H31N5O4/c1-21(2,3)20-23-11-13(24-20)10-15(25-18(29)12-6-7-14(27)9-12)19(30)26-8-4-5-16(26)17(22)28/h11-12,15-16H,4-10H2,1-3H3,(H2,22,28)(H,23,24)(H,25,29)/t12-,15-,16-/m0/s1
PubChem CID44422111
ChEMBLCHEMBL389955
IUPHARN/A
BindingDB50196453
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
177725Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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