Compound Detail
CHEMBL336707
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Basic Information
| ChEMBL ID | CHEMBL336707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXCZIMJGLPSJGI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
5.07
ALogP
5
HBA
0
HBD
23.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.28 | 6.28 | 523.0 | 1 |
| Sigma 2 receptor CHEMBL613288 | IC50 | 6.06 | 6.06 | 877.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 523.0 | nM | 6.28 | Binding affinity was evaluated using [3H]WIN-35428 binding to dopamine transport... | 9435903 |
| Sigma 2 receptor | IC50 | = | 877.0 | nM | 6.06 | Binding affinity was evaluated using [3H]-DTG binding to sigma-2 receptor from r... | 9435903 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 1830.0 | nM | 5.74 | Binding affinity was evaluated using [3H]pentazocine binding to sigma-1 receptor... | 9435903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435903 | 10.1021/jm9705519 | Sodium-dependent dopamine transporter | 1 |
| 9435903 | 10.1021/jm9705519 | Sigma non-opioid intracellular receptor 1 | 1 |
| 9435903 | 10.1021/jm9705519 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine