Compound Detail
CHEMBL2335237
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Basic Information
| ChEMBL ID | CHEMBL2335237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SELRUFBBIJGQBF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
3.18
ALogP
5
HBA
2
HBD
67.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.55 | 5.3367 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 280.0 | nM | 6.55 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 24900724 |
| Plasmodium falciparum | IC50 | = | 10800.0 | nM | 4.97 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 24900724 |
| Plasmodium falciparum | IC50 | = | 32600.0 | nM | 4.49 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 a... | 24900724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900724 | 10.1021/ml4001084 | Plasmodium falciparum | 3 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | No relevant target | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | Unchecked | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | K562 | 1 |
| 23266185 | 10.1016/j.bmc.2012.11.009 | Plasmodium falciparum | 1 |
| 24900724 | 10.1021/ml4001084 | KB | 1 |
| 24900724 | 10.1021/ml4001084 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine