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Compound Detail

CHEMBL278086

ETHYLKETAZOCINE
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CCOc1ccc2c(c1)C1(C)CCN(CC3CC3)C(C2=O)C1C

Basic Information

ChEMBL ID CHEMBL278086
Name ETHYLKETAZOCINE
Phase Preclinical
Structure Type MOL
InChI Key VVPXGTRPIKVDOV-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.66
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27NO2
MW 313.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.47

Activity Summary

IC50 6 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptors; mu/kappa/delta
CHEMBL2095181
IC50 9.22 9.22 0.6 1
Cavia porcellus
CHEMBL369
IC50 9.16 8.824 0.7 5

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6300401 10.1021/jm00358a009 Cavia porcellus 2
6300401 10.1021/jm00358a009 Unchecked 2
6207298 10.1021/jm00376a026 Cavia porcellus 1
6310111 10.1021/jm00363a005 Cavia porcellus 1
6090663 10.1021/jm00376a018 Cavia porcellus 1
6312042 10.1021/jm00364a001 Unchecked 1
6312042 10.1021/jm00364a001 Opioid receptors; mu/kappa/delta 1

Data from ChEMBL 36 via Core Engine