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Compound Detail

CHEMBL283335

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

Basic Information

ChEMBL ID CHEMBL283335
Phase Preclinical
Structure Type MOL
InChI Key ZLRXCJAKKMCEBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
3.28
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O
MW 363.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Delta-type opioid receptor
CHEMBL236
IC50 7.35 7.35 44.3 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
10340622 10.1016/s0960-894x(99)00173-0 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine