Compound Detail
CHEMBL2113932
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Cc1cc(C(=O)NCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)n1-c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL2113932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRYQCWKAZAVYJI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
3.40
ALogP
6
HBA
2
HBD
90.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 31000.0 | nM | 4.51 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine