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Ligand

NameCHEMBL195285
Molecular formulaC22H28N2O4
IUPAC name(1R,9R,10S)-17-(cyclopropylmethyl)-10-hydroxy-3-methoxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Molecular weight384.476
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.9
SynonymsSCHEMBL13936391
BDBM50165050
17-cyclopropylmethyl-10-hydroxy-3-methoxy-13-oxo-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Inchi KeyAIBFBJNNRKSGIA-ZPMCFJSWSA-N
Inchi IDInChI=1S/C22H28N2O4/c1-28-19-16(20(23)26)5-4-14-10-17-22(27)7-6-15(25)11-21(22,18(14)19)8-9-24(17)12-13-2-3-13/h4-5,13,17,27H,2-3,6-12H2,1H3,(H2,23,26)/t17-,21-,22-/m1/s1
PubChem CID44401402
ChEMBLCHEMBL195285
IUPHARN/A
BindingDB50165050
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
6054Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
6055Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
6056Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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