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Ligand

NameCHEMBL315322
Molecular formulaC34H40FN3O5
IUPAC name1-[2-[3-(4-fluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight589.708
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50290304
SCHEMBL8635882
1-{2-[3-(4-Fluoro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
Inchi KeyTZXGIGWZTGXHJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40FN3O5/c1-41-28-21-24(22-29(42-2)30(28)43-3)31(39)38-20-14-33(23-38,25-9-11-27(35)12-10-25)13-17-37-18-15-34(16-19-37,32(36)40)26-7-5-4-6-8-26/h4-12,21-22H,13-20,23H2,1-3H3,(H2,36,40)
PubChem CID44319250
ChEMBLCHEMBL315322
IUPHARN/A
BindingDB50290304
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
331538Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
331539Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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