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Compound Detail

CHEMBL437602

ORIPAVINE
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COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5

Basic Information

ChEMBL ID CHEMBL437602
Name ORIPAVINE
Phase Preclinical
Structure Type MOL
InChI Key ZKLXUUYLEHCAMF-UUWFMWQGSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
2.12
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.86
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 2.56

Activity Summary

EC50 1 meas. best 6.56
Ki 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
EC50 6.56 6.56 277.0 1
Mu-type opioid receptor
CHEMBL233
Ki 6.54 6.54 286.0 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