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Ligand

NameCHEMBL399652
Molecular formulaC35H35N5O2
IUPAC name(1R)-N-benzyl-1-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1-(1H-indol-3-yl)methanamine
Molecular weight557.698
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50232275
(R)-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-N-benzyl(1H-indol-3-yl)methanamine
Inchi KeyAHXIDNQATNXBMX-UUWRZZSWSA-N
Inchi IDInChI=1S/C35H35N5O2/c1-41-28-19-18-27(32(21-28)42-2)24-40-33(20-17-25-11-5-3-6-12-25)38-39-35(40)34(37-22-26-13-7-4-8-14-26)30-23-36-31-16-10-9-15-29(30)31/h3-16,18-19,21,23,34,36-37H,17,20,22,24H2,1-2H3/t34-/m1/s1
PubChem CID44445621
ChEMBLCHEMBL399652
IUPHARN/A
BindingDB50232275
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
5955Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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