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Ligand

NameCHEMBL310173
Molecular formulaC34H39F2N3O5
IUPAC name1-[2-[3-(3,4-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight607.699
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50290308
SCHEMBL8637866
1-{2-[3-(3,4-Difluoro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
Inchi KeyLFEFDECYHDBXPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H39F2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)
PubChem CID44319356
ChEMBLCHEMBL310173
IUPHARN/A
BindingDB50290308
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
185914Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
185913Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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