Compound Detail
CHEMBL71429
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Basic Information
| ChEMBL ID | CHEMBL71429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMVNAMVZVZPOCS-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
1.87
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 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nischarin CHEMBL3923 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Nischarin CHEMBL5221 | Ki | 8.3 | 6.75 | 5.0 | 2 |
| Monoamine oxidase CHEMBL2095205 | Ki | 6.03 | 6.03 | 933.2 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.45 | 5.45 | 3548.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nischarin | Ki | = | 5.012 | nM | 8.3 | Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheoc... | 12747788 |
| Nischarin | Ki | = | 5.012 | nM | 8.3 | Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 c... | 26005521 |
| Monoamine oxidase | Ki | = | 933.25 | nM | 6.03 | Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... | 12747788 |
| Adrenergic receptor alpha-2 | Ki | = | 3548.13 | nM | 5.45 | Displacement of [3H]clonidine from rat cortex membrane Alpha-2 adrenergic recept... | 12747788 |
| Adrenergic receptor alpha-2 | Ki | = | 3548.13 | nM | 5.45 | Displacement of [3H]-clonidine from alpha2 adrenoreceptor in rat cortex membrane... | 26005521 |
| Nischarin | Ki | = | 6309.57 | nM | 5.2 | Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane ... | 27265687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747788 | 10.1021/jm021113r | Unchecked | 4 |
| 12747788 | 10.1021/jm021113r | Oryctolagus cuniculus | 4 |
| 12747788 | 10.1021/jm021113r | Nischarin | 1 |
| 12747788 | 10.1021/jm021113r | Monoamine oxidase | 1 |
| 12747788 | 10.1021/jm021113r | Adrenergic receptor alpha-2 | 1 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Unchecked | 1 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Adrenergic receptor alpha-2 | 1 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Nischarin | 1 |
| 27265687 | 10.1016/j.bmc.2016.05.043 | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine