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Ligand

NameCHEMBL179350
Molecular formulaC27H32N2O5
IUPAC namedimethyl 3,7-dimethyl-2,4-bis(3-methylphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
Molecular weight464.562
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50092514
2,4-Bis(3-methylphenyl)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester
3-{[(Methoxycarbonyl-m-tolyl-methyl)-methyl-amino]-m-tolyl-methyl}-1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester
Inchi KeyAVWRCQVFTFTWCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N2O5/c1-17-9-7-11-19(13-17)21-26(24(31)33-5)15-28(3)16-27(23(26)30,25(32)34-6)22(29(21)4)20-12-8-10-18(2)14-20/h7-14,21-22H,15-16H2,1-6H3
PubChem CID15033955
ChEMBLCHEMBL179350
IUPHARN/A
BindingDB50092514
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15714Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
15715Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
15716Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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