Compound Detail
CHEMBL2113942
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CC(=O)N(C1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(F)(F)F)cc3)c2C)S1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2113942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOJDOQBSBJSPKC-HMAPJEAMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
6.14
ALogP
4
HBA
0
HBD
54.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.1 | 7.8667 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8.0 | nM | 8.1 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum | IC50 | = | 12.0 | nM | 7.92 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
| Plasmodium falciparum | IC50 | = | 26.0 | nM | 7.58 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine