Compound Detail
CHEMBL1907831
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Basic Information
| ChEMBL ID | CHEMBL1907831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTPSERSDLDHWEK-SNVBAGLBSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
2.18
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 6.23 | 6.23 | 588.8 | 1 |
| Nischarin CHEMBL5221 | Ki | 6.23 | 6.23 | 588.8 | 2 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Monoamine oxidase CHEMBL2095205 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 588.84 | nM | 6.23 | Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheoc... | 12747788 |
| Nischarin | Ki | = | 588.84 | nM | 6.23 | Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 ... | - |
| Nischarin | Ki | = | 588.84 | nM | 6.23 | Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane ... | 27265687 |
| Adrenergic receptor alpha-2 | Ki | = | 1258.93 | nM | 5.9 | Displacement of [3H]clonidine from rat cortex membrane Alpha-2 adrenergic recept... | 12747788 |
| Monoamine oxidase | Ki | = | 2511.89 | nM | 5.6 | Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... | 12747788 |
| Unchecked | Ki | = | 2511.89 | nM | 5.6 | Binding affinity to I2 imidazoline binding site (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747788 | 10.1021/jm021113r | Unchecked | 4 |
| 12747788 | 10.1021/jm021113r | Nischarin | 2 |
| 12747788 | 10.1021/jm021113r | Monoamine oxidase | 1 |
| 12747788 | 10.1021/jm021113r | Adrenergic receptor alpha-2 | 1 |
| - | 10.1007/s00044-004-0023-9 | Unchecked | 1 |
| - | 10.1007/s00044-004-0023-9 | Nischarin | 1 |
| 27265687 | 10.1016/j.bmc.2016.05.043 | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine