Compound Detail
CHEMBL491833
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Basic Information
| ChEMBL ID | CHEMBL491833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAXUCYFTRUFSCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
6.45
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.33 | 7.33 | 46.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 46.9 | nM | 7.33 | Displacement of [3H]DTH from sigma 2 receptor in rat liver homogenate in presenc... | 18069094 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 118.0 | nM | 6.93 | Displacement of [3H] (+)-pentazocine from sigma 1 receptor in rat liver homogena... | 18069094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18069094 | 10.1016/j.ejmech.2007.09.012 | Unchecked | 3 |
| 18069094 | 10.1016/j.ejmech.2007.09.012 | Sigma non-opioid intracellular receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine