Compound Detail
CHEMBL330449
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Basic Information
| ChEMBL ID | CHEMBL330449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRBDHMOWSKFOIL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
5.24
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig | 1652025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1652025 | 10.1021/jm00112a042 | Mus musculus | 1 |
| 1652025 | 10.1021/jm00112a042 | Kappa-type opioid receptor | 1 |
| 1652025 | 10.1021/jm00112a042 | Mu-type opioid receptor | 1 |
| 1652025 | 10.1021/jm00112a042 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine