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Ligand

NameCHEMBL389037
Molecular formulaC24H30N6O4
IUPAC name(2S)-N-[(2S)-3-(1-benzylimidazol-4-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Molecular weight466.542
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.1
SynonymsBDBM50196458
(2S)-1-{(2S)-3-(1-benzyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinylcarboxamido]azolane-propanoyl}azolane-2-carboxamide
Inchi KeyICNQGPKTIHCJTK-UFYCRDLUSA-N
Inchi IDInChI=1S/C24H30N6O4/c25-22(32)20-9-5-11-30(20)24(34)19(28-23(33)18-8-4-10-21(31)27-18)12-17-14-29(15-26-17)13-16-6-2-1-3-7-16/h1-3,6-7,14-15,18-20H,4-5,8-13H2,(H2,25,32)(H,27,31)(H,28,33)/t18-,19-,20-/m0/s1
PubChem CID44422169
ChEMBLCHEMBL389037
IUPHARN/A
BindingDB50196458
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
129945Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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