Compound Detail
CHEMBL3593749
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Basic Information
| ChEMBL ID | CHEMBL3593749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIAXUVHPZDEJKP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3594518 |
| Active Moiety | CHEMBL3594518 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
3.06
ALogP
8
HBA
3
HBD
112.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.34 | 4.71 | 4580.0 | 2 |
| Liver microsome CHEMBL2367428 | IC50 | 4.63 | 4.63 | 23290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 4580.0 | nM | 5.34 | Antioxidant activity assessed as superoxide anion radical scavenging activity af... | 26068017 |
| Liver microsome | IC50 | = | 23290.0 | nM | 4.63 | Antioxidant activity in rat liver microsomes assessed as reduction in iron-ascor... | 26068017 |
| No relevant target | IC50 | = | 84000.0 | nM | 4.08 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 min | 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