Compound Detail
CHEMBL2181213
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Basic Information
| ChEMBL ID | CHEMBL2181213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRHDWSWBYFTOOE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
5.99
ALogP
6
HBA
1
HBD
63.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.51 | 7.295 | 31.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 31.0 | nM | 7.51 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 23145816 |
| Plasmodium falciparum | IC50 | = | 83.0 | nM | 7.08 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 23145816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23145816 | 10.1021/jm300831b | Plasmodium falciparum | 3 |
| 23145816 | 10.1021/jm300831b | HepG2 | 1 |
| 23145816 | 10.1021/jm300831b | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine