Compound Detail
CHEMBL258752
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Basic Information
| ChEMBL ID | CHEMBL258752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXUGKAPKSQUOCO-VMPITWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.32
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of amyloid beta (1-42) self-mediated aggregation (unknown origin) aft... | 23786711 |
| Unchecked | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of potato 5-LOX using linoleic acid as substrate assessed as hydroper... | 23786711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18293907 | 10.1021/jm0708331 | K562 | 1 |
| 23786711 | 10.1016/j.ejmech.2013.05.015 | ADMET | 1 |
| 23786711 | 10.1016/j.ejmech.2013.05.015 | Unchecked | 1 |
| 23786711 | 10.1016/j.ejmech.2013.05.015 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine