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Ligand

NameCHEMBL313546
Molecular formulaC34H38Cl2FN3O5
IUPAC name1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-(4-fluorophenyl)piperidine-4-carboxamide
Molecular weight658.592
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.8
Synonyms1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-(4-fluoro-phenyl)-piperidine-4-carboxylic acid amide
BDBM50290310
SCHEMBL8351265
Inchi KeySKQQTPWQQAVLTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H38Cl2FN3O5/c1-43-28-18-22(19-29(44-2)30(28)45-3)31(41)40-17-11-33(21-40,24-6-9-26(35)27(36)20-24)10-14-39-15-12-34(13-16-39,32(38)42)23-4-7-25(37)8-5-23/h4-9,18-20H,10-17,21H2,1-3H3,(H2,38,42)
PubChem CID44319222
ChEMBLCHEMBL313546
IUPHARN/A
BindingDB50290310
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
316716Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
316715Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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