Compound Detail
CHEMBL157518
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Basic Information
| ChEMBL ID | CHEMBL157518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEDDYAZGOUYPKC-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
173.3
MW (Da)
2.38
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas.
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.1 | 5.255 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 800.0 | nM | 6.1 | Inhibitory concentration against uptake of [3H]NE into chopped cerebral cortical... | 7392028 |
| Rattus norvegicus | IC50 | = | 39000.0 | nM | 4.41 | Inhibitory concentration against uptake of [3H]NE into chopped cerebral cortical... | 7392028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7392028 | 10.1021/jm00180a006 | Rattus norvegicus | 6 |
Data from ChEMBL 36 via Core Engine