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Ligand

NameCHEMBL352051
Molecular formulaC40H47N5O3
IUPAC name6-[2-[[(2S)-2-[5-[1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methyl-1-oxopropan-2-yl]-2-(3,5-dimethylphenyl)-1H-indol-3-yl]propyl]amino]ethyl]-1H-benzimidazole-2-carboxylic acid
Molecular weight645.848
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.3
SynonymsBDBM50110600
5-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-1H-benzoimidazole-2-carboxylic acid
Inchi KeyAQWCEAQPXIENDG-WUXOVTSDSA-N
Inchi IDInChI=1S/C40H47N5O3/c1-23-16-24(2)18-28(17-23)36-35(25(3)21-41-15-14-26-8-12-33-34(19-26)44-37(43-33)38(46)47)31-20-29(9-13-32(31)42-36)40(4,5)39(48)45-22-27-6-10-30(45)11-7-27/h8-9,12-13,16-20,25,27,30,41-42H,6-7,10-11,14-15,21-22H2,1-5H3,(H,43,44)(H,46,47)/t25-,27?,30?/m1/s1
PubChem CID44380514
ChEMBLCHEMBL352051
IUPHARN/A
BindingDB50110600
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
12143Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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