Compound Detail
CHEMBL452974
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Basic Information
| ChEMBL ID | CHEMBL452974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQRSFBPLYOVSRU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
3.19
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.36
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 4.36 | 4.36 | 43600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 43600.0 | nM | 4.36 | Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cel... | 32991171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
| 32991171 | 10.1021/acs.jnatprod.0c00756 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine