Compound Detail
CHEMBL2088681
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Basic Information
| ChEMBL ID | CHEMBL2088681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKVBRNZRFUMIDQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.56
ALogP
7
HBA
0
HBD
69.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.19 | 5.885 | 647.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 647.0 | nM | 6.19 | Antiplasmodial against chloroquine-sensitive Plasmodium falciparum 3D7 assessed ... | 23064162 |
| Plasmodium falciparum | IC50 | = | 2633.0 | nM | 5.58 | Antiplasmodial against chloroquine-rsistant Plasmodium falciparum K1 assessed as... | 23064162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23064162 | 10.1016/j.ejmech.2012.08.047 | Mycobacterium tuberculosis | 4 |
| 23064162 | 10.1016/j.ejmech.2012.08.047 | Plasmodium falciparum | 3 |
| 23064162 | 10.1016/j.ejmech.2012.08.047 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine