Compound Detail
CHEMBL3415887
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Basic Information
| ChEMBL ID | CHEMBL3415887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEMDTHPAVGACGS-OVCLIPMQSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.12
ALogP
5
HBA
5
HBD
97.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.06
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.06 | 4.06 | 86200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 7000.0 | nM | 5.16 | Antioxidant activity assessed as DPPH free radical scavenging activity incubated... | 25752525 |
| Unchecked | Ki | = | 86200.0 | nM | 4.06 | Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucop... | 25752525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25752525 | 10.1016/j.ejmech.2015.02.037 | Unchecked | 5 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | No relevant target | 3 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | A549 | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | NON-PROTEIN TARGET | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | SW1573 | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | HeLa | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | T47D | 1 |
| 25752525 | 10.1016/j.ejmech.2015.02.037 | WiDr | 1 |
Data from ChEMBL 36 via Core Engine