Compound Detail
CHEMBL2335595
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CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c2C)C1=O
Basic Information
| ChEMBL ID | CHEMBL2335595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWFUESUEBONPBV-WOJGMQOQSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
3.74
ALogP
7
HBA
1
HBD
94.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 58.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 29.0 | nM | 7.54 | Antimalarial activity against erythrocytic stage of chloroquine and pyrimethamin... | 23517371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517371 | 10.1021/jm400009c | No relevant target | 3 |
| 23517371 | 10.1021/jm400009c | Albumin | 1 |
| 23517371 | 10.1021/jm400009c | Liver | 1 |
| 23517371 | 10.1021/jm400009c | L6 | 1 |
| 23517371 | 10.1021/jm400009c | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine