Compound Detail
CHEMBL130884
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Basic Information
| ChEMBL ID | CHEMBL130884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPAIAAWBFFTOPZ-UHFFFAOYSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.16
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.04
EC50 3 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 7.04 | 7.04 | 91.2 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.03 | 7.03 | 93.3 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.41 | 6.41 | 389.1 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.15 | 6.15 | 708.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.94 | 5.94 | 1148.2 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.42 | 5.42 | 3801.9 | 1 |
| Monoamine oxidase CHEMBL2095205 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754577 | 10.1021/jm0110082 | Adrenergic receptor alpha-2 | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2C adrenergic receptor | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2B adrenergic receptor | 3 |
| 15566287 | 10.1021/jm0408215 | Alpha-2A adrenergic receptor | 3 |
| 11754577 | 10.1021/jm0110082 | Monoamine oxidase | 1 |
| 11754577 | 10.1021/jm0110082 | Adrenergic receptor alpha-1 | 1 |
| 11754577 | 10.1021/jm0110082 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine