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Ligand

NameCHEMBL314119
Molecular formulaC33H38Cl2N4O5
IUPAC name1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide
Molecular weight641.59
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
Synonyms1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-3-yl)-piperidine-4-carboxylic acid amide
SCHEMBL8355664
1''-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2'',3'',5'',6''-tetrahydro-1''H-[3,4'']bipyridinyl-4''-carboxylic acid amide
BDBM50290295
HYKVHMXJPZXOSZ-UHFFFAOYSA-N
Inchi KeyHYKVHMXJPZXOSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)
PubChem CID44319307
ChEMBLCHEMBL314119
IUPHARN/A
BindingDB50290295
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
127146Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
127147Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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