Compound Detail
CHEMBL168723
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Basic Information
| ChEMBL ID | CHEMBL168723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOERHXQKDUFFRK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
2.81
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.77 | 5.77 | 1701.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 10.3 | nM | 7.99 | In vitro binding activity against opioid receptor mu using [3H]DAGO) as radiolig... | 1847432 |
| Delta-type opioid receptor | IC50 | = | 1701.0 | nM | 5.77 | In vitro binding activity against opioid receptor delta using [3H]DPDPE) as radi... | 1847432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847432 | 10.1021/jm00106a051 | Rattus norvegicus | 8 |
| 1847432 | 10.1021/jm00106a051 | Mu-type opioid receptor | 1 |
| 1847432 | 10.1021/jm00106a051 | Kappa-type opioid receptor | 1 |
| 1847432 | 10.1021/jm00106a051 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine