Compound Detail
CHEMBL158563
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Basic Information
| ChEMBL ID | CHEMBL158563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKQPUXMHPHTOSO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
4.74
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.52 | 4.52 | 29900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 29900.0 | nM | 4.52 | Inhibition of Norepinephrine uptake from rat diencephalon-midbrain | 2985785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2985785 | 10.1021/jm50001a020 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine