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Ligand

NameCHEMBL322194
Molecular formulaC39H48N4O6
IUPAC name[1-(2-ethoxyethyl)benzimidazol-2-yl]-[1-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]methanone
Molecular weight668.835
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.4
SynonymsSCHEMBL7947217
ADZSGFZICHOKOJ-UHFFFAOYSA-N
BDBM50290702
[3-(2-{4-[1-(2-Ethoxy-ethyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-3-phenyl-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
1-(3,4,5-Trimethoxy-benzoyl)-3-[2-[4-[1-(2-ethoxy-ethyl)-1 H-benzoimidazole-2-carbonyl]-piperidin-1-yl]-ethyl]-3-phenyl-pyrrolidine
Inchi KeyADZSGFZICHOKOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H48N4O6/c1-5-49-24-23-43-32-14-10-9-13-31(32)40-37(43)35(44)28-15-19-41(20-16-28)21-17-39(30-11-7-6-8-12-30)18-22-42(27-39)38(45)29-25-33(46-2)36(48-4)34(26-29)47-3/h6-14,25-26,28H,5,15-24,27H2,1-4H3
PubChem CID10122529
ChEMBLCHEMBL322194
IUPHARN/A
BindingDB50290702
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
3264Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
3265Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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