Compound Detail
CHEMBL131222
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Basic Information
| ChEMBL ID | CHEMBL131222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPOKUZBDINIUOP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.05
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.8 | 6.8 | 158.5 | 2 |
| Monoamine oxidase CHEMBL2095205 | Ki | 5.12 | 5.12 | 7585.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortex mem... | 11754577 |
| Adrenergic receptor alpha-2 | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]clonidine from rat alpha2-adrenoreceptor by liquid scintilla... | 26390077 |
| Monoamine oxidase | Ki | = | 7585.78 | nM | 5.12 | Displacement of [3H]idazoxan from imidazoline receptor I-2 binding sites in rabb... | 11754577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754577 | 10.1021/jm0110082 | Adrenergic receptor alpha-2 | 2 |
| 16942031 | 10.1021/jm060605r | Monoamine oxidase | 2 |
| 11754577 | 10.1021/jm0110082 | Monoamine oxidase | 1 |
| 11754577 | 10.1021/jm0110082 | Adrenergic receptor alpha-1 | 1 |
| 11754577 | 10.1021/jm0110082 | Unchecked | 1 |
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine