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Ligand

NameCHEMBL83585
Molecular formulaC34H40ClN3O5
IUPAC name1-[2-[3-(3-chlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight606.16
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL8637737
1-{2-[3-(3-Chloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
BDBM50290309
Inchi KeyVJGOUBCAZPOTIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40ClN3O5/c1-41-28-20-24(21-29(42-2)30(28)43-3)31(39)38-19-13-33(23-38,26-10-7-11-27(35)22-26)12-16-37-17-14-34(15-18-37,32(36)40)25-8-5-4-6-9-25/h4-11,20-22H,12-19,23H2,1-3H3,(H2,36,40)
PubChem CID44319057
ChEMBLCHEMBL83585
IUPHARN/A
BindingDB50290309
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
356523Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
356524Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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