Compound Detail
CHEMBL423234
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Basic Information
| ChEMBL ID | CHEMBL423234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQCQKRSMDNIJTR-STQMWFEESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
2.85
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.61 | 6.5 | 248.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 248.0 | nM | 6.61 | Ability to inhibit the uptake of norepinephrine [3H]-NE in to rat brain synaptos... | 9484508 |
| Rattus norvegicus | IC50 | = | 408.0 | nM | 6.39 | Ability to inhibit the uptake of dopamine [3H]DA in to rat brain synaptosomes | 9484508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484508 | 10.1021/jm970620j | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine