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Compound Detail

CHEMBL5560034

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Oc1cccc(N2[C@@H]3CC[C@H]2CN(CC2CC2)C3)c1

Basic Information

ChEMBL ID CHEMBL5560034
Phase Preclinical
Structure Type MOL
InChI Key FNCZYXOVADVKHE-GASCZTMLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
2.46
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N2O
MW 258.37
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.49

Activity Summary

EC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
EC50 6.29 6.29 516.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38810170 10.1021/acs.jmedchem.4c00333 Mu-type opioid receptor 5

Data from ChEMBL 36 via Core Engine