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Ligand

NameCHEMBL198226
Molecular formulaC48H56Cl2N6O9
IUPAC name2-[4-[3-[7-[3-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-3-oxopropyl]dibenzofuran-3-yl]propanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight931.909
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP6.8
SynonymsBDBM50174428
1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)ethyl]-4-{2-[7-(2-{1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)ethyl]hexahydro-4-pyridinylcarbamoyl}ethyl)dibenzo[b,d]furan-3-yl]ethylcarboxamido}hexahydropyridine
Inchi KeyDCUAGYBZQCTXFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C48H56Cl2N6O9/c1-61-41-27-39(51)37(49)25-35(41)47(59)63-21-19-55-15-11-31(12-16-55)53-45(57)9-5-29-3-7-33-34-8-4-30(24-44(34)65-43(33)23-29)6-10-46(58)54-32-13-17-56(18-14-32)20-22-64-48(60)36-26-38(50)40(52)28-42(36)62-2/h3-4,7-8,23-28,31-32H,5-6,9-22,51-52H2,1-2H3,(H,53,57)(H,54,58)
PubChem CID44404969
ChEMBLCHEMBL198226
IUPHARN/A
BindingDB50174428
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
567325-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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