Compound Detail
CHEMBL85962
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Basic Information
| ChEMBL ID | CHEMBL85962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYGCCDPEFAOIFA-OAHLLOKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.66
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1 | 10498200 |
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of [3H]batrachotoxin binding to rat brain sodium channel | 10498200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484507 | 10.1021/jm970599m | Mus musculus | 5 |
| 10498200 | 10.1016/s0960-894x(99)00415-1 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 10498200 | 10.1016/s0960-894x(99)00415-1 | Rattus norvegicus | 2 |
| 9484507 | 10.1021/jm970599m | ADMET | 1 |
| 10498200 | 10.1016/s0960-894x(99)00415-1 | Sigma non-opioid intracellular receptor 1 | 1 |
| 10498200 | 10.1016/s0960-894x(99)00415-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine