Compound Detail
CHEMBL3261732
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COc1cc2[nH]c(C)c(-c3ccc(Oc4cccc(OC(F)(F)F)c4)cc3)c(=O)c2cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3261732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTRQZIQBYGNASZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
475.9
MW (Da)
6.86
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 0.03 | nM | 10.52 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 MRA... | 24720377 |
| NON-PROTEIN TARGET | EC50 | = | 0.03 | nM | 10.52 | 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 | Plasmodium yoelii | 2 |
| 24720377 | 10.1021/jm500147k | NON-PROTEIN TARGET | 1 |
| 24720377 | 10.1021/jm500147k | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine