Compound Detail
CHEMBL3781865
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Basic Information
| ChEMBL ID | CHEMBL3781865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEVUYFUCJRHCNR-PEHGTWAWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
1.48
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.53 | 4.53 | 29500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 29500.0 | nM | 4.53 | Antioxidant activity assessed as DPPH free radical scavenging activity treated w... | 27017266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27017266 | 10.1016/j.ejmech.2016.03.019 | No relevant target | 16 |
| 27017266 | 10.1016/j.ejmech.2016.03.019 | ADMET | 12 |
Data from ChEMBL 36 via Core Engine