Compound Detail
CHEMBL3352860
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Basic Information
| ChEMBL ID | CHEMBL3352860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APONJQVTYXVQAO-FXAWDEMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
5.40
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero 76 CHEMBL4296509 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero 76 | IC50 | = | 12400.0 | nM | 4.91 | Cytotoxicity against green monkey Vero 76 cells incubated for 48 to 96 hrs by cr... | 36753881 |
| Amyloid-beta precursor protein | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of amyloid beta 40 peptide (unknown origin) aggregation incubated for... | 36753881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36753881 | 10.1016/j.ejmech.2023.115169 | Microtubule-associated protein tau | 2 |
| 25464882 | 10.1016/j.bmc.2014.10.035 | Mycobacterium tuberculosis | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | Amyloid-beta precursor protein | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | Vero 76 | 1 |
Data from ChEMBL 36 via Core Engine