Compound Detail
CHEMBL2418387
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Basic Information
| ChEMBL ID | CHEMBL2418387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCGSVZJXMLVULN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.88
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.56
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.56 | 4.56 | 27700.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.56 | 4.56 | 27700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 27700.0 | nM | 4.56 | Antioxidant activity assessed as DPPH radical scavenging activity | 29280630 |
| No relevant target | IC50 | = | 27700.0 | nM | 4.56 | Antioxidant activity assessed as DPPH radical scavenging activity | 29280630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23933533 | 10.1016/j.ejmech.2013.06.016 | THP-1 | 9 |
| 23933533 | 10.1016/j.ejmech.2013.06.016 | NON-PROTEIN TARGET | 2 |
| 29280630 | 10.1021/acs.jnatprod.7b00619 | No relevant target | 2 |
| 23933533 | 10.1016/j.ejmech.2013.06.016 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine