Compound Detail
CHEMBL525985
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Basic Information
| ChEMBL ID | CHEMBL525985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCOQFPMZUIJTDP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.02
ALogP
5
HBA
4
HBD
127.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.72 | 4.72 | 19054.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 19054.61 | nM | 4.72 | Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex... | 18678494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18678494 | 10.1016/j.bmc.2008.07.033 | Unchecked | 1 |
| 24900577 | 10.1021/ml300326v | No relevant target | 1 |
| 27108161 | 10.1016/j.ejmech.2016.03.047 | NON-PROTEIN TARGET | 1 |
| 27108161 | 10.1016/j.ejmech.2016.03.047 | Unchecked | 1 |
| 27108161 | 10.1016/j.ejmech.2016.03.047 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine