Compound Detail
CHEMBL57306
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Basic Information
| ChEMBL ID | CHEMBL57306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFVVDDZBNJYTKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.21
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 6.22 | 6.22 | 598.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 598.0 | nM | 6.22 | Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate recep... | 2888899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2888899 | 10.1021/jm00393a037 | Opioid receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | Mus musculus | 1 |
| 2888899 | 10.1021/jm00393a037 | D(2) dopamine receptor | 1 |
| 2888899 | 10.1021/jm00393a037 | Adenylate cyclase type 5 | 1 |
| 2888899 | 10.1021/jm00393a037 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine