Compound Detail
CHEMBL174462
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Basic Information
| ChEMBL ID | CHEMBL174462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDWRRDOPCKSOKJ-UBKPWBPPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
4.23
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.85 | 5.715 | 1400.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 5.15 | 5.13 | 7100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1400.0 | nM | 5.85 | In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in synaptosome... | 2966246 |
| Rattus norvegicus | IC50 | = | 2600.0 | nM | 5.58 | In vitro inhibition of the accumulation of (-)-[3H]-5-HT in synaptosomes from th... | 2966246 |
| Mus musculus | IC50 | = | 7100.0 | nM | 5.15 | In vitro inhibition of the accumulation of (-)-[3H]-5-HT in slices from the midd... | 2966246 |
| Mus musculus | IC50 | = | 7800.0 | nM | 5.11 | In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in slices from... | 2966246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2966246 | 10.1021/jm00400a005 | Mus musculus | 4 |
| 2966246 | 10.1021/jm00400a005 | Rattus norvegicus | 2 |
| 2966246 | 10.1021/jm00400a005 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine