Compound Detail
CHEMBL62074
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Basic Information
| ChEMBL ID | CHEMBL62074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUZHFXXIFCAROU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
2.36
ALogP
3
HBA
0
HBD
47.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.92 | 5.87 | 1200.0 | 2 |
| HaCaT CHEMBL614392 | IC50 | 5.12 | 5.12 | 7540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1200.0 | nM | 5.92 | Antiplasmodial activity against Plasmodium falciparum Dd2 incubated for 48 hrs | 33333397 |
| Plasmodium falciparum | IC50 | = | 1500.0 | nM | 5.82 | Antiplasmodial activity against Plasmodium falciparum 3D7 incubated for 48 hrs | 33333397 |
| HaCaT | IC50 | = | 7540.0 | nM | 5.12 | Antihyperproliferative activity against human HaCaT cells after 48 hrs by phase ... | 22845014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845014 | 10.1021/jm3009597 | HaCaT | 5 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 2 |
| 38522589 | 10.1016/j.bmcl.2024.129714 | RAW264.7 | 2 |
| - | 10.1016/S0960-894X(97)00354-5 | Mus musculus | 1 |
| 3669007 | 10.1021/jm00394a013 | KB | 1 |
| 22845014 | 10.1021/jm3009597 | NQO1 protein | 1 |
| 22845014 | 10.1021/jm3009597 | NADPH--cytochrome P450 reductase | 1 |
Data from ChEMBL 36 via Core Engine