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Compound Detail

CHEMBL257627

CODEINONE
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COc1ccc2c3c1O[C@H]1C(=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314

Basic Information

ChEMBL ID CHEMBL257627
Name CODEINONE
Phase Preclinical
Structure Type MOL
InChI Key XYYVYLMBEZUESM-CMKMFDCUSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
1.71
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO3
MW 297.35
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.05

Activity Summary

EC50 1 meas. best 6.53
Ki 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
EC50 6.53 6.53 294.0 1
Mu-type opioid receptor
CHEMBL233
Ki 6.34 6.34 459.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17616524 10.1074/jbc.m703272200 Mu-type opioid receptor 3

Data from ChEMBL 36 via Core Engine