Compound Detail
CHEMBL3593750
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Basic Information
| ChEMBL ID | CHEMBL3593750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZEFNELVSKUICV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3594519 |
| Active Moiety | CHEMBL3594519 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
2.30
ALogP
9
HBA
3
HBD
121.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.95 | 4.95 | 11250.0 | 1 |
| Liver microsome CHEMBL2367428 | IC50 | 4.43 | 4.43 | 37370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 11250.0 | nM | 4.95 | Antioxidant activity assessed as superoxide anion radical scavenging activity af... | 26068017 |
| Liver microsome | IC50 | = | 37370.0 | nM | 4.43 | Antioxidant activity in rat liver microsomes assessed as reduction in iron-ascor... | 26068017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26068017 | 10.1016/j.bmc.2015.05.023 | No relevant target | 2 |
| 26068017 | 10.1016/j.bmc.2015.05.023 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine