Compound Detail
CHEMBL2368615
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Basic Information
| ChEMBL ID | CHEMBL2368615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGPLDSIZULSXAR-OTYVUIITSA-N |
| Parent Compound | CHEMBL3040082 |
| Active Moiety | CHEMBL3040082 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.12
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.79 | 5.79 | 1610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.67 | nM | 9.17 | Binding affinity against sigma opioid receptor using [3H]pentazocine as radiolig... | 1322987 |
| Mu-type opioid receptor | Ki | = | 1610.0 | nM | 5.79 | Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand. | 1322987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1322987 | 10.1021/jm00093a014 | Unchecked | 3 |
| 1322987 | 10.1021/jm00093a014 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine