Compound Detail
CHEMBL354646
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Basic Information
| ChEMBL ID | CHEMBL354646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYPPVKRFBIWMSX-CXUHLZMHSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
317.2
MW (Da)
3.84
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.82 | 6.74 | 150.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.21 | 5.21 | 6100.0 | 2 |
| Norepinephrine transporter CHEMBL304 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in synaptosome... | 2966246 |
| Rattus norvegicus | IC50 | = | 220.0 | nM | 6.66 | In vitro inhibition of the accumulation of (-)-[3H]-5-HT in synaptosomes from th... | 2966246 |
| Sodium-dependent serotonin transporter | IC50 | = | 1700.0 | nM | 5.77 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
| Mus musculus | IC50 | = | 6100.0 | nM | 5.21 | In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in slices from... | 2966246 |
| Mus musculus | IC50 | = | 6100.0 | nM | 5.21 | In vitro inhibition of the accumulation of (-)-[3H]-5-HT in slices from the midd... | 2966246 |
| Norepinephrine transporter | IC50 | = | 24000.0 | nM | 4.62 | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... | 6458703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18333608 | 10.1021/jm701500e | Unchecked | 6 |
| 2966246 | 10.1021/jm00400a005 | Mus musculus | 4 |
| 2966246 | 10.1021/jm00400a005 | Rattus norvegicus | 2 |
| 2966246 | 10.1021/jm00400a005 | Unchecked | 2 |
| 6458703 | 10.1021/jm00144a025 | Norepinephrine transporter | 2 |
| 6458703 | 10.1021/jm00144a025 | Sodium-dependent serotonin transporter | 2 |
| 18333608 | 10.1021/jm701500e | Cruzipain | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine