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Ligand

NameCHEMBL113432
Molecular formulaC39H50N4O2
IUPAC name1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-[2-[2-(1-hydroxyethyl)pyridin-4-yl]ethylamino]propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Molecular weight606.855
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.7
Synonyms1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethyl-phenyl)-3-((S)-2-{2-[2-(1-hydroxy-ethyl)-pyridin-4-yl]-ethylamino}-1-methyl-ethyl)-1H-indol-5-yl]-2-methyl-propan-1-one
BDBM50120657
1-(2-Azabicyclo[2.2.2]octane-2-yl)-2-methyl-2-[2-(3,5-dimethylphenyl)-3-[(S)-1-methyl-2-[2-[2-(1-hydroxyethyl)-4-pyridyl]ethylamino]ethyl]-1H-indole-5-yl]-1-propanone
Inchi KeyAFYQABBRKIZIFQ-YHQYICKOSA-N
Inchi IDInChI=1S/C39H50N4O2/c1-24-17-25(2)19-30(18-24)37-36(26(3)22-40-15-13-28-14-16-41-35(20-28)27(4)44)33-21-31(9-12-34(33)42-37)39(5,6)38(45)43-23-29-7-10-32(43)11-8-29/h9,12,14,16-21,26-27,29,32,40,42,44H,7-8,10-11,13,15,22-23H2,1-6H3/t26-,27?,29?,32?/m1/s1
PubChem CID44340928
ChEMBLCHEMBL113432
IUPHARN/A
BindingDB50120657
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
4621Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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