Compound Detail
CHEMBL77195
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Basic Information
| ChEMBL ID | CHEMBL77195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONVACOXORQBMCU-CSKARUKUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.73
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SH-SY5Y CHEMBL614910 | EC50 | 5.44 | 5.44 | 3660.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Vanilloid receptor CHEMBL2096684 | EC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SH-SY5Y | EC50 | = | 3660.0 | nM | 5.44 | Neuroprotective activity against H2O2-induced cell damage in human SH-SY5Y cells... | 31541868 |
| Unchecked | EC50 | = | 9800.0 | nM | 5.01 | Neuroprotective activity against H2O2-induced cell damage in human HBMEC2 cells ... | 31541868 |
| Vanilloid receptor | EC50 | = | 11800.0 | nM | 4.93 | In vitro effective concentration for [Ca2+] uptake into dorsal root ganglia neur... | 8360883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360883 | 10.1021/jm00068a016 | Vanilloid receptor | 1 |
| 31541868 | 10.1016/j.ejmech.2019.111695 | SH-SY5Y | 1 |
| 31541868 | 10.1016/j.ejmech.2019.111695 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine