Compound Detail
CHEMBL2367758
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Basic Information
| ChEMBL ID | CHEMBL2367758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USMLAOXPTZITDG-IQRRUJBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.40
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 74.0 | nM | 7.13 | Displacement of [3H]bremazocine from opioid receptor kappa of guinea pig membran... | 1652019 |
| Unchecked | IC50 | = | 89.0 | nM | 7.05 | Displacement of [3H]bremazocine from opioid receptor of guinea pig membrane | 1652019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1652019 | 10.1021/jm00112a019 | Opioid receptors; mu/kappa/delta | 3 |
| 1652019 | 10.1021/jm00112a019 | Unchecked | 1 |
| 1652019 | 10.1021/jm00112a019 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine