Compound Detail
CHEMBL1907832
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Basic Information
| ChEMBL ID | CHEMBL1907832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMVNAMVZVZPOCS-SNVBAGLBSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
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 7 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.4 | 5.4 | 3981.1 | 2 |
| Nischarin CHEMBL3923 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Nischarin CHEMBL5221 | Ki | 5.2 | 5.2 | 6309.6 | 2 |
| Monoamine oxidase CHEMBL2095205 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 3981.07 | nM | 5.4 | Displacement of [3H]clonidine from rat cortex membrane Alpha-2 adrenergic recept... | 12747788 |
| Adrenergic receptor alpha-2 | Ki | = | 3981.07 | nM | 5.4 | Displacement of [3H]-clonidine from alpha2 adrenoreceptor in rat cortex membrane... | 26005521 |
| Nischarin | Ki | = | 6309.57 | nM | 5.2 | Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheoc... | 12747788 |
| Nischarin | Ki | = | 6309.57 | nM | 5.2 | Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 ... | - |
| Nischarin | Ki | = | 6309.57 | nM | 5.2 | Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 c... | 26005521 |
| Monoamine oxidase | Ki | = | 12589.25 | nM | 4.9 | Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... | 12747788 |
| Unchecked | Ki | = | 12589.25 | nM | 4.9 | 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 | 1 |
| 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 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Adrenergic receptor alpha-2 | 1 |
| 26005521 | 10.1021/acsmedchemlett.5b00115 | Nischarin | 1 |
Data from ChEMBL 36 via Core Engine