Compound Detail
CHEMBL4166690
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Basic Information
| ChEMBL ID | CHEMBL4166690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQHMNZBYDQWTGD-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.66
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 6.28 | 6.28 | 526.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 526.5 | nM | 6.28 | Anti-ferroptotic activity against RSL3-induced ferroptosis in human HT-22 cells ... | 35796002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35796002 | 10.1021/acs.jnatprod.2c00352 | HT-22 | 2 |
| 29924604 | 10.1021/acs.jnatprod.7b00814 | RAW264.7 | 1 |
| 35796002 | 10.1021/acs.jnatprod.2c00352 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine