Compound Detail
CHEMBL3261952
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Basic Information
| ChEMBL ID | CHEMBL3261952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CABTYRUXYYFUMY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
5.73
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.96 | 7.925 | 11.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 11.0 | nM | 7.96 | Antimalarial activity against atovaquone-resistant clinical isolate Plasmodium f... | 24720377 |
| Plasmodium falciparum | EC50 | = | 13.0 | nM | 7.89 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 MRA... | 24720377 |
| NON-PROTEIN TARGET | EC50 | = | 13.0 | nM | 7.89 | Antimalarial activity against multidrug-resistant Plasmodium falciparum Dd2 MRA-... | 24720377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24720377 | 10.1021/jm500147k | Plasmodium falciparum | 2 |
| 24720377 | 10.1021/jm500147k | NON-PROTEIN TARGET | 1 |
| 24720377 | 10.1021/jm500147k | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine