Compound Detail
CHEMBL2058632
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Basic Information
| ChEMBL ID | CHEMBL2058632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNHRXBTZWMJDSC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
1.54
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL5221 | Ki | 6.44 | 6.44 | 363.1 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.55 | 5.55 | 2818.4 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.31 | 5.31 | 4897.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 363.08 | nM | 6.44 | Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 c... | 22750139 |
| Alpha-2B adrenergic receptor | Ki | = | 2818.38 | nM | 5.55 | Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO ce... | 22750139 |
| Alpha-2A adrenergic receptor | Ki | = | 4897.79 | nM | 5.31 | Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO ce... | 22750139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22750139 | 10.1016/j.bmc.2012.06.008 | Rattus norvegicus | 3 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Alpha-2A adrenergic receptor | 2 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Alpha-2B adrenergic receptor | 2 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Alpha-2C adrenergic receptor | 2 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Nischarin | 1 |
| 22750139 | 10.1016/j.bmc.2012.06.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine