Compound Detail
CHEMBL451753
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Basic Information
| ChEMBL ID | CHEMBL451753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLZFEGSJMIIVKX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
466.1
MW (Da)
6.37
ALogP
5
HBA
2
HBD
43.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.81 | 7.7033 | 15.6 | 3 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.0 | 4.93 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 15.6 | nM | 7.81 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Thai a... | 17485145 |
| Plasmodium falciparum | IC50 | = | 19.1 | nM | 7.72 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1R ... | 17485145 |
| Plasmodium falciparum | IC50 | = | 26.5 | nM | 7.58 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 17485145 |
| Amyloid-beta precursor protein | IC50 | = | 10000.0 | nM | 5.0 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
| Amyloid-beta precursor protein | IC50 | = | 13800.0 | nM | 4.86 | 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 |
| 17485145 | 10.1016/j.ejmech.2007.03.008 | Plasmodium falciparum | 3 |
| 17485145 | 10.1016/j.ejmech.2007.03.008 | Unchecked | 1 |
| 17485145 | 10.1016/j.ejmech.2007.03.008 | ADMET | 1 |
| 29559198 | 10.1016/j.bmc.2018.03.016 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine