Compound Detail
CHEMBL498261
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Basic Information
| ChEMBL ID | CHEMBL498261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMDWTZGWAAHPBP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.33
ALogP
3
HBA
2
HBD
44.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
IC50 1 meas. best 5.14
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 73.5 | nM | 7.13 | Displacement of [3H]2-BFI from Imidazoline receptor 2 in Sprague-Dawley rat whol... | 18661965 |
| Unchecked | Ki | = | 925.9 | nM | 6.03 | Displacement of [3H]RX821002 from Adrenergic alpha2 receptor in Sprague-Dawley r... | 18661965 |
| Nischarin | IC50 | = | 7301.0 | nM | 5.14 | Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat ... | 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