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Ligand

NameCHEMBL315923
Molecular formulaC33H38Cl2N4O5
IUPAC name1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-4-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-4-yl)-piperidine-4-carboxylic acid amide
BDBM50290305
PINXYVGXMYFCOO-UHFFFAOYSA-N
1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2,3,5,6-tetrahydro-1H-[4,4'']bipyridinyl-4-carboxylic acid amide
1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-y1)-piperidine-4-carboxylic acid amide
[ Show all ]
Inchi KeyPINXYVGXMYFCOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38Cl2N4O5/c1-42-27-18-22(19-28(43-2)29(27)44-3)30(40)39-17-9-32(21-39,24-4-5-25(34)26(35)20-24)8-14-38-15-10-33(11-16-38,31(36)41)23-6-12-37-13-7-23/h4-7,12-13,18-20H,8-11,14-17,21H2,1-3H3,(H2,36,41)
PubChem CID44319306
ChEMBLCHEMBL315923
IUPHARN/A
BindingDB50290305
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
260620Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
260619Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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