Compound Detail
CHEMBL2368631
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Basic Information
| ChEMBL ID | CHEMBL2368631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKNSCJKTFZMRAP-DNQSJJPOSA-N |
| Parent Compound | CHEMBL2368850 |
| Active Moiety | CHEMBL2368850 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
4.55
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.94 | 6.975 | 1.1 | 2 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.46 | 6.46 | 343.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.15 | nM | 8.94 | Binding affinity against sigma opioid receptor using [3H]pentazocine as radiolig... | 1322987 |
| Mu-type opioid receptor | Ki | = | 343.0 | nM | 6.46 | Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand. | 1322987 |
| Unchecked | Ki | = | 9700.0 | nM | 5.01 | Binding affinity against PCP receptor using [3H]TCP 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