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Ligand

NameCHEMBL84055
Molecular formulaC39H47Cl2N3O5
IUPAC name[3-(3,4-dichlorophenyl)-3-[2-[4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight708.721
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP7.1
SynonymsBDBM50290300
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidin-4-yl)-piperidin-1-yl-methanone
Inchi KeyLCDCUQMYABQNGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H47Cl2N3O5/c1-47-33-24-28(25-34(48-2)35(33)49-3)36(45)44-23-15-38(27-44,30-12-13-31(40)32(41)26-30)14-20-42-21-16-39(17-22-42,29-10-6-4-7-11-29)37(46)43-18-8-5-9-19-43/h4,6-7,10-13,24-26H,5,8-9,14-23,27H2,1-3H3
PubChem CID44319340
ChEMBLCHEMBL84055
IUPHARN/A
BindingDB50290300
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
183823Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
183822Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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