Compound Detail
CHEMBL2058633
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Basic Information
| ChEMBL ID | CHEMBL2058633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DADXHMUZIXRGOH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
194.7
MW (Da)
2.94
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL5221 | Ki | 7.11 | 7.11 | 77.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.03 | 6.03 | 933.2 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.52 | 5.52 | 3019.9 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 77.62 | nM | 7.11 | Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 c... | 22750139 |
| Unchecked | Ki | = | 794.33 | nM | 6.1 | Displacement of [3H]idazoxan from imidazoline I2 receptor in New Zealand rabbit ... | 22750139 |
| Alpha-2B adrenergic receptor | Ki | = | 933.25 | nM | 6.03 | Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO ce... | 22750139 |
| Alpha-2A adrenergic receptor | Ki | = | 3019.95 | nM | 5.52 | Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO ce... | 22750139 |
| Alpha-2C adrenergic receptor | Ki | = | 5011.87 | nM | 5.3 | Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO ce... | 22750139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22750139 | 10.1016/j.bmc.2012.06.008 | Alpha-2C adrenergic receptor | 1 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Nischarin | 1 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Unchecked | 1 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Alpha-2A adrenergic receptor | 1 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Alpha-2B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine