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Ligand

NameCHEMBL20736
Molecular formulaC35H34ClN3O2
IUPAC name1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[2-(4-chlorophenyl)-1-methyl-5-pyridin-4-ylindol-3-yl]propan-1-one
Molecular weight564.126
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50099530
SCHEMBL7798932
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-pyridin-4-yl-1H-indol-3-yl]-propan-1-one
1-(4-Hydroxy-4-benzylpiperidino)-3-[1-methyl-2-(4-chlorophenyl)-5-(4-pyridinyl)-1H-indole-3-yl]-1-propanone
AMWBDZUOJRHESG-UHFFFAOYSA-N
[ Show all ]
Inchi KeyAMWBDZUOJRHESG-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H34ClN3O2/c1-38-32-13-9-28(26-15-19-37-20-16-26)23-31(32)30(34(38)27-7-10-29(36)11-8-27)12-14-33(40)39-21-17-35(41,18-22-39)24-25-5-3-2-4-6-25/h2-11,13,15-16,19-20,23,41H,12,14,17-18,21-22,24H2,1H3
PubChem CID44274170
ChEMBLCHEMBL20736
IUPHARN/A
BindingDB50099530
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
9301Substance-P receptorP25103TACR1Homo sapiens (Human)407

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