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Ligand

NameCHEMBL224655
Molecular formulaC21H32N6O4
IUPAC name(2S)-N-[(2S)-3-(2-tert-butyl-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Molecular weight432.525
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-0.4
Synonyms(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-tert-butyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
BDBM50196459
Inchi KeyCCPRCGWULGRROO-KKUMJFAQSA-N
Inchi IDInChI=1S/C21H32N6O4/c1-21(2,3)20-23-11-12(24-20)10-14(19(31)27-9-5-7-15(27)17(22)29)26-18(30)13-6-4-8-16(28)25-13/h11,13-15H,4-10H2,1-3H3,(H2,22,29)(H,23,24)(H,25,28)(H,26,30)/t13-,14-,15-/m0/s1
PubChem CID44422086
ChEMBLCHEMBL224655
IUPHARN/A
BindingDB50196459
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
38832Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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