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Ligand

NameCHEMBL420051
Molecular formulaC41H54N4O
IUPAC name1-(8-azaspiro[4.5]decan-8-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(4-pyridin-4-ylbutylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one
Molecular weight618.91
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP9.1
SynonymsBDBM50104547
2-(3,5-Dimethylphenyl)-3-[(S)-1-methyl-2-[4-(4-pyridinyl)butylamino]ethyl]-5-[1,1-dimethyl-2-oxo-2-(8-azaspiro[4.5]decane-8-yl)ethyl]-1H-indole
1-(8-Aza-spiro[4.5]dec-8-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
Inchi KeyAOVBJNVFOOZDSI-WJOKGBTCSA-N
Inchi IDInChI=1S/C41H54N4O/c1-29-24-30(2)26-33(25-29)38-37(31(3)28-43-19-9-6-10-32-13-20-42-21-14-32)35-27-34(11-12-36(35)44-38)40(4,5)39(46)45-22-17-41(18-23-45)15-7-8-16-41/h11-14,20-21,24-27,31,43-44H,6-10,15-19,22-23,28H2,1-5H3/t31-/m1/s1
PubChem CID44321147
ChEMBLCHEMBL420051
IUPHARN/A
BindingDB50104547
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
10617Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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