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Ligand

NameCHEMBL324654
Molecular formulaC38H48N4O2
IUPAC name1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-(2-methyl-1-oxidopyridin-1-ium-4-yl)ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Molecular weight592.828
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.5
Synonyms2-Methyl-4-[2-[[(2S)-2-[2-(3,5-dimethylphenyl)-5-[1,1-dimethyl-2-oxo-2-(2-azabicyclo[2.2.2]octane-2-yl)ethyl]-1H-indole-3-yl]propyl]amino]ethyl]pyridine 1-oxide
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-methyl-1-oxy-pyridin-4-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
BDBM50120658
Inchi KeyBRIGXZPPTLOWSJ-XNPSPRNGSA-N
Inchi IDInChI=1S/C38H48N4O2/c1-24-17-25(2)19-30(18-24)36-35(26(3)22-39-15-13-28-14-16-42(44)27(4)20-28)33-21-31(9-12-34(33)40-36)38(5,6)37(43)41-23-29-7-10-32(41)11-8-29/h9,12,14,16-21,26,29,32,39-40H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,29?,32?/m1/s1
PubChem CID9985901
ChEMBLCHEMBL324654
IUPHARN/A
BindingDB50120658
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31012Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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