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Ligand

NameCHEMBL371718
Molecular formulaC46H70Cl2N6O8
IUPAC name2-[4-[2-[[12-[2-[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]ethylamino]-12-oxododecanoyl]amino]ethyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight906.0
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP7.9
Synonyms2-{4-[2-(11-{[2-(1-{2-[(4-amino-5-chloro-2-methoxyphenyl)carbonyloxy]ethyl}piperidin-4-yl)ethyl]carbamoyl}undecanamido)ethyl]piperidin-1-yl}ethyl 4-amino-5-chloro-2-methoxybenzoate
1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-{2-[10-(2-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinyl}ethylcarbamoyl)decylcarboxamido]ethyl}hexahydropyridine
BDBM50174431
Inchi KeyBEBWFSLBSVUCNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C46H70Cl2N6O8/c1-59-41-31-39(49)37(47)29-35(41)45(57)61-27-25-53-21-15-33(16-22-53)13-19-51-43(55)11-9-7-5-3-4-6-8-10-12-44(56)52-20-14-34-17-23-54(24-18-34)26-28-62-46(58)36-30-38(48)40(50)32-42(36)60-2/h29-34H,3-28,49-50H2,1-2H3,(H,51,55)(H,52,56)
PubChem CID11714901
ChEMBLCHEMBL371718
IUPHARN/A
BindingDB50174431
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
214265-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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