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Ligand

NameCHEMBL85499
Molecular formulaC36H45N3O7
IUPAC name1-[2-[3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight631.77
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50290296
FMTLSROFQVSZGR-UHFFFAOYSA-N
1-{2-[3-(3,4-Dimethoxy-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
SCHEMBL8353159
1-[2-[3-(3,4-dimethoxy-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide
Inchi KeyFMTLSROFQVSZGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H45N3O7/c1-42-28-12-11-27(23-29(28)43-2)35(13-17-38-18-15-36(16-19-38,34(37)41)26-9-7-6-8-10-26)14-20-39(24-35)33(40)25-21-30(44-3)32(46-5)31(22-25)45-4/h6-12,21-23H,13-20,24H2,1-5H3,(H2,37,41)
PubChem CID44319249
ChEMBLCHEMBL85499
IUPHARN/A
BindingDB50290296
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82252Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
82251Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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