Compound Detail
CHEMBL68132
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Basic Information
| ChEMBL ID | CHEMBL68132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMGGLPUXCKRGT-ZZXKWVIFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
1.88
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.16
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | EC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 590.0 | nM | 6.23 | Evaluated for the antioxidant property by measuring the inhibition of microsomal... | 11206462 |
| Amyloid-beta precursor protein | EC50 | = | 69000.0 | nM | 4.16 | Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation aft... | 28759879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26410075 | 10.1016/j.bmcl.2015.09.003 | Rattus norvegicus | 7 |
| 38740144 | 10.1016/j.bmcl.2024.129788 | Amyloid-beta precursor protein | 6 |
| 17275293 | 10.1016/j.bmcl.2006.12.059 | Staphylococcus aureus | 3 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | Unchecked | 2 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | No relevant target | 2 |
| 11206462 | 10.1016/s0960-894x(00)00630-2 | Unchecked | 1 |
| 16442796 | 10.1016/j.bmcl.2006.01.022 | Tyrosinase | 1 |
| 16442796 | 10.1016/j.bmcl.2006.01.022 | Radical scavenging activity | 1 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | Amyloid-beta precursor protein | 1 |
| 38740144 | 10.1016/j.bmcl.2024.129788 | No relevant target | 1 |
| 38740144 | 10.1016/j.bmcl.2024.129788 | PC-12 | 1 |
| 37216809 | 10.1016/j.ejmech.2023.115455 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine