Compound Detail
CHEMBL2113949
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Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1
Basic Information
| ChEMBL ID | CHEMBL2113949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URZLHIHAUACTCO-DUPRQXJUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
7.04
ALogP
4
HBA
0
HBD
37.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3200.0 | nM | 5.5 | OSM: CSIR assay 3D7: Compounds were tested for inhibition of Plasmodium falcipar... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum K1 | 1 |
Data from ChEMBL 36 via Core Engine