Compound Detail
CHEMBL452401
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Basic Information
| ChEMBL ID | CHEMBL452401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIDJEWXRIQJTPL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.02
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.38 | 5.285 | 413.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 413.6 | nM | 6.38 | Displacement of [3H]2-BFI from Imidazoline receptor 2 in Sprague-Dawley rat whol... | 18661965 |
| Unchecked | Ki | = | 64773.0 | nM | 4.19 | Displacement of [3H]RX821002 from Adrenergic alpha2 receptor in Sprague-Dawley r... | 18661965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18661965 | 10.1021/jm800400k | Unchecked | 4 |
| 18661965 | 10.1021/jm800400k | Mus musculus | 2 |
| 18661965 | 10.1021/jm800400k | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine