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Ligand

NameCHEMBL382543
Molecular formulaC39H56Cl2N6O8
IUPAC name2-[4-[[[7-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]methylamino]-7-oxoheptanoyl]amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight807.811
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP4.5
SynonymsBDBM50174444
1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-(5-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylmethylcarbamoyl}pentylcarboxamidomethyl)hexahydropyridine
Inchi KeyBZKYORMHSDKUTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H56Cl2N6O8/c1-52-34-22-32(42)30(40)20-28(34)38(50)54-18-16-46-12-8-26(9-13-46)24-44-36(48)6-4-3-5-7-37(49)45-25-27-10-14-47(15-11-27)17-19-55-39(51)29-21-31(41)33(43)23-35(29)53-2/h20-23,26-27H,3-19,24-25,42-43H2,1-2H3,(H,44,48)(H,45,49)
PubChem CID11629240
ChEMBLCHEMBL382543
IUPHARN/A
BindingDB50174444
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
365495-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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