Compound Detail
CHEMBL373535
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Basic Information
| ChEMBL ID | CHEMBL373535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFWQDDUMQAQVSC-UHFFFAOYSA-N |
3
Targets
14
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.52
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 7.4
Ki 6 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | EC50 | 7.4 | 7.3333 | 39.8 | 3 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 7.19 | 7.19 | 64.6 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.86 | 6.86 | 138.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL1867 | EC50 | 6.5 | 6.41 | 316.2 | 3 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.03 | 6.03 | 933.2 | 2 |
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566287 | 10.1021/jm0408215 | Alpha-2A adrenergic receptor | 5 |
| 15566287 | 10.1021/jm0408215 | Alpha-2C adrenergic receptor | 5 |
| 15566287 | 10.1021/jm0408215 | Alpha-2B adrenergic receptor | 3 |
| 17630725 | 10.1021/jm061487a | Alpha-2A adrenergic receptor | 3 |
| 17630725 | 10.1021/jm061487a | Alpha-2B adrenergic receptor | 3 |
| 17630725 | 10.1021/jm061487a | Alpha-2C adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine