Compound Detail
CHEMBL97247
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Basic Information
| ChEMBL ID | CHEMBL97247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUUSVDCCWNOULF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
509.1
MW (Da)
5.05
ALogP
6
HBA
2
HBD
63.7
PSA (Ų)
0.40
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.77 | 5.655 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.0 | nM | 8.3 | Inhibitory activity against chloroquine-resistant Plasmodium falciparum FcB1R | 11495593 |
| Amyloid-beta precursor protein | IC50 | = | 1700.0 | nM | 5.77 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
| Amyloid-beta precursor protein | IC50 | = | 2900.0 | nM | 5.54 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29559198 | 10.1016/j.bmc.2018.03.016 | Amyloid-beta precursor protein | 4 |
| 11495593 | 10.1021/jm010842o | MRC5 | 3 |
| 11495593 | 10.1021/jm010842o | ADMET | 3 |
| 11495593 | 10.1021/jm010842o | Plasmodium falciparum | 1 |
| 29559198 | 10.1016/j.bmc.2018.03.016 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine