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Ligand

NameCHEMBL382080
Molecular formulaC22H32N6O4
IUPAC name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(2-cyclohexyl-1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight444.536
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-0.3
SynonymsBDBM50173822
1-[3-(2-cyclohexyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide
Inchi KeyBHFTUARIRMBSAP-ULQDDVLXSA-N
Inchi IDInChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1
PubChem CID11539544
ChEMBLCHEMBL382080
IUPHARN/A
BindingDB50173822
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
23706Thyrotropin-releasing hormone receptorQ01717TrhrRattus norvegicus (Rat)412

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