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Ligand

NameCHEMBL3421903
Molecular formulaC66H74Cl4N8O12
IUPAC name3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]-N-[2-[2-[2-[2-[2-[2-[2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Molecular weight1313.16
Hydrogen bond acceptor16
Hydrogen bond donor2
XlogP8.1
SynonymsN,N'-[Ethylenebis(oxyethyleneoxyethyleneoxyethylene)]bis[3-[2,5-dichloro-4-[[3-[[4-cyclopropyl-3,4-dihydroquinoxaline-1(2H)-yl]carbonyl]-4-pyridinyl]oxy]phenyl]propanamide]
BDBM50081113
J3.552.506H
Inchi KeyDUCLZGWXZLMMTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C66H74Cl4N8O12/c67-51-41-61(89-59-17-19-71-43-49(59)65(81)77-25-23-75(47-11-12-47)55-5-1-3-7-57(55)77)53(69)39-45(51)9-15-63(79)73-21-27-83-29-31-85-33-35-87-37-38-88-36-34-86-32-30-84-28-22-74-64(80)16-10-46-40-54(70)62(42-52(46)68)90-60-18-20-72-44-50(60)66(82)78-26-24-76(48-13-14-48)56-6-2-4-8-58(56)78/h1-8,17-20,39-44,47-48H,9-16,21-38H2,(H,73,79)(H,74,80)
PubChem CID118735267
ChEMBLCHEMBL3421903
IUPHARN/A
BindingDB50081113
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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
444396G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
444397G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329

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