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Ligand

NameCHEMBL285378
Molecular formulaC26H29N3O6
IUPAC nameN-[(7R)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-(2,5-dioxopyrrol-1-yl)acetamide
Molecular weight479.533
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-1.1
SynonymsN/A
Inchi KeyAOOJCPCEIPSLBL-OALDHVNGSA-N
Inchi IDInChI=1S/C26H29N3O6/c30-17-4-3-15-11-18-26(34)8-7-16(27-19(31)13-29-20(32)5-6-21(29)33)24-25(26,22(15)23(17)35-24)9-10-28(18)12-14-1-2-14/h3-6,14,16,18,24,30,34H,1-2,7-13H2,(H,27,31)/t16-,18?,24?,25?,26?/m1/s1
PubChem CID44276279
ChEMBLCHEMBL285378
IUPHARN/A
BindingDBN/A
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
10415Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
10413Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
10414Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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