Compound Detail
CHEMBL4086825
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Basic Information
| ChEMBL ID | CHEMBL4086825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKRMCVZZHVPJRO-BQYQJAHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.27
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.9 | 4.9 | 12480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 4170.0 | nM | 5.38 | Antioxidant activity assessed as ABTS radical scavenging activity incubated for ... | 28061347 |
| Amyloid-beta precursor protein | IC50 | = | 12480.0 | nM | 4.9 | Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induc... | 28061347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28061347 | 10.1016/j.ejmech.2016.12.045 | No relevant target | 2 |
| 28061347 | 10.1016/j.ejmech.2016.12.045 | Amyloid-beta precursor protein | 2 |
Data from ChEMBL 36 via Core Engine