Compound Detail
CHEMBL254436
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Basic Information
| ChEMBL ID | CHEMBL254436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDNCQMVWWZOMLN-UNMCSNQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.15
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Brain CHEMBL613617 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of NADH-induced lipid peroxidation in rat brain microsome | 18183943 |
| Brain | IC50 | = | 14400.0 | nM | 4.84 | Inhibition of Fe2+-induced lipid peroxidation in rat brain homogenate | 18183943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22793155 | 10.1021/jm3007992 | No relevant target | 3 |
| 18183943 | 10.1021/jm070618k | Rattus norvegicus | 1 |
| 18183943 | 10.1021/jm070618k | Brain | 1 |
Data from ChEMBL 36 via Core Engine