Compound Detail
CHEMBL38579
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Basic Information
| ChEMBL ID | CHEMBL38579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWTSSMNIECEREA-CQSZACIVSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
1.07
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.88
Ki 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 38.0 | nM | 7.42 | Binding affinity against alpha-2 adrenergic receptor was determined by the displ... | 2887657 |
| Adrenergic receptor alpha-2 | IC50 | = | 131.0 | nM | 6.88 | The compound was evaluated for the alpha-2 adrenergic receptor antagonistic acti... | 2887657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2887657 | 10.1021/jm00392a005 | Adrenergic receptor alpha-2 | 3 |
Data from ChEMBL 36 via Core Engine