Compound Detail
CHEMBL501690
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Basic Information
| ChEMBL ID | CHEMBL501690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSBQQJYINLIMNY-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.8
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 158.49 | nM | 6.8 | Binding affinity to Imidazoline receptor 2 | 18661965 |
| Unchecked | Ki | = | 158.5 | nM | 6.8 | Displacement of [3H]2-BFI from Imidazoline receptor 2 in Sprague-Dawley rat whol... | 18661965 |
| Unchecked | Ki | = | 331.13 | nM | 6.48 | Binding affinity to I2 imidazoline binding site (unknown origin) | - |
| Nischarin | Ki | = | 3235.94 | nM | 5.49 | Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 ... | - |
| Nischarin | Ki | = | 6340.0 | nM | 5.2 | Displacement of [3H]clonidine from Imidazoline receptor 1 rat PC-12 cells | 18661965 |
| Unchecked | Ki | = | 7132.0 | nM | 5.15 | 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 | 7 |
| 18661965 | 10.1021/jm800400k | Mus musculus | 4 |
| 18661965 | 10.1021/jm800400k | Nischarin | 1 |
| - | 10.1007/s00044-004-0023-9 | Unchecked | 1 |
| - | 10.1007/s00044-004-0023-9 | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine