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Ligand

NameCHEMBL1089542
Molecular formulaC25H35N5O
IUPAC nameN-[[3-[(diaminomethylideneamino)methyl]phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular weight421.589
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50314880
N-(3-(guanidinomethyl)benzyl)-N-(1-phenethylpiperidin-4-yl)propionamide
Inchi KeyAQTLLNFIIZDSEL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
PubChem CID46884841
ChEMBLCHEMBL1089542
IUPHARN/A
BindingDB50314880
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12084Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
12087Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
12086Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
12083Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
12085Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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