Compound Detail
CHEMBL138529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL138529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTQPINQFDCYUDO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.78
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 5.77 | 5.77 | 1707.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 1707.0 | nM | 5.77 | Neuroprotective activity in mouse HT22 cells assessed as inhibition of glutamate... | 20466554 |
| Rattus norvegicus | IC50 | = | 4100.0 | nM | 5.39 | Tested in vitro for the inhibition of iron-dependent lipid peroxidation against ... | 1447746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466554 | 10.1016/j.bmc.2010.04.042 | HT-22 | 3 |
| 1447746 | 10.1021/jm00101a025 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine