Compound Detail
CHEMBL2333013
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Basic Information
| ChEMBL ID | CHEMBL2333013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXOMKWNLCYPMJN-XKZIYDEJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
530.1
MW (Da)
5.62
ALogP
8
HBA
1
HBD
72.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.38 | 7.315 | 42.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 42.2 | nM | 7.38 | Antimalarial activity against Plasmodium falciparum K1 assessed as parasite grow... | 23454512 |
| Plasmodium falciparum | IC50 | = | 56.0 | nM | 7.25 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as parasite gro... | 23454512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23454512 | 10.1016/j.ejmech.2013.01.017 | Plasmodium falciparum | 2 |
| 23454512 | 10.1016/j.ejmech.2013.01.017 | Plasmodium yoelii | 1 |
| 23454512 | 10.1016/j.ejmech.2013.01.017 | Unchecked | 1 |
| 25593097 | 10.1016/j.bmc.2014.12.018 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine