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Compound Detail

CHEMBL56347

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CCOc1ccc2c(c1)C1(C)CN(CC3CC3)C(C2=O)C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56347
Phase Preclinical
Structure Type MOL
InChI Key NIZSYPMUUIDCPJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.27
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 C19H25NO2
MW 299.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.32

Activity Summary

IC50 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptors; mu/kappa/delta
CHEMBL2095181
 IC50 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptors; mu/kappa/delta IC50 = 0.07 nM 10.15 Compound was tested for antagonistic activity against opioid receptor in electri... 3020245

Literature References

PubMed DOI Target Context # Activities
3020245 10.1021/jm00160a011 Opioid receptors; mu/kappa/delta 1

Data from ChEMBL 36 via Core Engine