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Ligand

NameCHEMBL1162955
Molecular formulaC62H92Cl2N8O10
IUPAC name2-[4-[[4-[3-[4-[3-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]methylamino]-4-oxobutyl]-(2,2-dimethylpropanoyl)amino]propyl]phenyl]propyl-(2,2-dimethylpropanoyl)amino]butanoylamino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight1180.36
Hydrogen bond acceptor14
Hydrogen bond donor4
XlogP8.7
SynonymsBDBM50371145
Inchi KeyCVEAYKCEDMSPLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C62H92Cl2N8O10/c1-61(2,3)59(77)71(27-11-15-55(73)67-41-45-21-29-69(30-22-45)33-35-81-57(75)47-37-49(63)51(65)39-53(47)79-7)25-9-13-43-17-19-44(20-18-43)14-10-26-72(60(78)62(4,5)6)28-12-16-56(74)68-42-46-23-31-70(32-24-46)34-36-82-58(76)48-38-50(64)52(66)40-54(48)80-8/h17-20,37-40,45-46H,9-16,21-36,41-42,65-66H2,1-8H3,(H,67,73)(H,68,74)
PubChem CID46905984
ChEMBLCHEMBL1162955
IUPHARN/A
BindingDB50371145
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
513885-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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