Compound Detail
CHEMBL339963
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Basic Information
| ChEMBL ID | CHEMBL339963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVXYAFNPMXCRJI-SFHVURJKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.86
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma 2 receptor CHEMBL613288 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.0 | 7.0 | 101.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.74 | 6.74 | 183.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma 2 receptor | Ki | = | 38.0 | nM | 7.42 | Tested for [3H]DTG binding to sigma-2 receptor in NG108-15 cell membranes | 7902870 |
| D(2) dopamine receptor | Ki | = | 101.0 | nM | 7.0 | Displacement of [3H]spiperone from CHO-K1 cell membranes expressing human dopami... | 7902870 |
| D(3) dopamine receptor | Ki | = | 125.0 | nM | 6.9 | Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopam... | 7902870 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 183.0 | nM | 6.74 | Tested for [3H](+)-pentazocine binding to sigma-1 receptor in guinea pig brain m... | 7902870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7902870 | 10.1021/jm00076a022 | D(2) dopamine receptor | 1 |
| 7902870 | 10.1021/jm00076a022 | D(3) dopamine receptor | 1 |
| 7902870 | 10.1021/jm00076a022 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7902870 | 10.1021/jm00076a022 | Sigma 2 receptor | 1 |
Data from ChEMBL 36 via Core Engine