Compound Detail
CHEMBL3415778
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Basic Information
| ChEMBL ID | CHEMBL3415778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQIIZQKTMJVZSO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
3.30
ALogP
6
HBA
3
HBD
99.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.32 | 5.32 | 4750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 4750.0 | nM | 5.32 | Antioxidant activity assessed as inhibition of ABTS free radical scavenging acti... | 25899334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Trypanosoma cruzi | 2 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Plasmodium berghei | 2 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Leishmania mexicana | 1 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Vero | 1 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | No relevant target | 1 |
| 25899334 | 10.1016/j.ejmech.2015.04.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine