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Ligand

NameCHEMBL315982
Molecular formulaC35H41Cl2N3O6
IUPAC name1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-(3-methoxyphenyl)piperidine-4-carboxamide
Molecular weight670.628
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
Synonyms1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-(3-methoxy-phenyl)-piperidine-4-carboxylic acid amide
XCIPVUSGRRXKLG-UHFFFAOYSA-N
1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(3-methoxy-phenyl)-piperidine-4-carboxylic acid amide
BDBM50290314
SCHEMBL8355448
Inchi KeyXCIPVUSGRRXKLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H41Cl2N3O6/c1-43-26-7-5-6-25(20-26)35(33(38)42)12-15-39(16-13-35)14-10-34(24-8-9-27(36)28(37)21-24)11-17-40(22-34)32(41)23-18-29(44-2)31(46-4)30(19-23)45-3/h5-9,18-21H,10-17,22H2,1-4H3,(H2,38,42)
PubChem CID44319223
ChEMBLCHEMBL315982
IUPHARN/A
BindingDB50290314
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
388354Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
388353Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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