Compound Detail
CHEMBL178519
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Basic Information
| ChEMBL ID | CHEMBL178519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODWZSCLUZWGCOH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.83
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.47 | 8.045 | 3.4 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.58 | 6.58 | 260.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.96 | 5.96 | 1093.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3.38 | nM | 8.47 | Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidin... | 15634021 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 24.0 | nM | 7.62 | Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine | 15634021 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 260.0 | nM | 6.58 | Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using... | 15634021 |
| D(2) dopamine receptor | Ki | = | 1093.0 | nM | 5.96 | Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone | 15634021 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634021 | 10.1021/jm049433t | Sigma non-opioid intracellular receptor 1 | 3 |
| 15634021 | 10.1021/jm049433t | D(2) dopamine receptor | 2 |
| 15634021 | 10.1021/jm049433t | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine