Compound Detail
CHEMBL42047
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Basic Information
| ChEMBL ID | CHEMBL42047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFNKYTGVHRAGJS-KWCCSABGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.01
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | IC50 | = | 310.0 | nM | 6.51 | Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]c... | 6094811 |
| Dopamine receptor | IC50 | = | 3800.0 | nM | 5.42 | Dopaminergic activity assessed in vitro for displacement of [3H]apomorphine from... | 6094811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6094811 | 10.1021/jm00378a014 | Dopamine receptor | 2 |
| 6094811 | 10.1021/jm00378a014 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine