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Ligand

NameCHEMBL3361419
Molecular formulaC24H34N6O3
IUPAC nameN-[[1-benzyl-4-(3,5-dimethoxyanilino)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
Molecular weight454.575
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.7
SynonymsBDBM50029109
Inchi KeyADVZHMYYGIKXKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)
PubChem CID118724980
ChEMBLCHEMBL3361419
IUPHARN/A
BindingDB50029109
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
441840Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
441841Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
441839Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
441837Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
441838Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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