Compound Detail
CHEMBL3361394
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COc1cc2[nH]c(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)c(=O)c2cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3361394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVTSZEAYMDMKSO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
462.8
MW (Da)
6.39
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 9.22 | 9.095 | 0.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 0.602 | nM | 9.22 | Antimalarial activity against multi-drug-resistant Plasmodium falciparum W2 infe... | 25148516 |
| Plasmodium falciparum | EC50 | = | 1.06 | nM | 8.97 | Antimalarial activity against multi-drug-resistant Plasmodium falciparum TM90-C2... | 25148516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148516 | 10.1021/jm500942v | Plasmodium berghei | 12 |
| 25148516 | 10.1021/jm500942v | Plasmodium falciparum | 2 |
| 25148516 | 10.1021/jm500942v | No relevant target | 2 |
| 25148516 | 10.1021/jm500942v | Unchecked | 1 |
| 25148516 | 10.1021/jm500942v | J774 | 1 |
| 25148516 | 10.1021/jm500942v | NON-PROTEIN TARGET | 1 |
| 25148516 | 10.1021/jm500942v | Liver microsome | 1 |
| 25148516 | 10.1021/jm500942v | ADMET | 1 |
Data from ChEMBL 36 via Core Engine