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Compound Detail

CHEMBL286161

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C=CCN1CCN(C(c2ccccc2)c2ccc(C(=O)OCC)cc2)CC1

Basic Information

ChEMBL ID CHEMBL286161
Phase Preclinical
Structure Type MOL
InChI Key UCPQKCMISWHLII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.76
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O2
MW 364.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Delta-type opioid receptor
CHEMBL236
IC50 5.86 5.86 1394.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10340622 10.1016/s0960-894x(99)00173-0 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine