Compound Detail
CHEMBL86477
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Basic Information
| ChEMBL ID | CHEMBL86477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJLMHMFDXCFFRR-JWQCQUIFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
6.21
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.58 | 6.58 | 263.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 104.0 | nM | 6.98 | Binding affinity against Sigma receptor type 1 was determined by the displacemen... | 12801223 |
| Sodium-dependent dopamine transporter | Ki | = | 263.0 | nM | 6.58 | Binding affinity against dopamine transporter was determined by the displacement... | 12801223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12801223 | 10.1021/jm030008u | Sodium-dependent dopamine transporter | 1 |
| 12801223 | 10.1021/jm030008u | Sigma non-opioid intracellular receptor 1 | 1 |
| 12801223 | 10.1021/jm030008u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine