Compound Detail
CHEMBL3234068
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CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)NCc5ccccc5)c4)nn23)cc1
Basic Information
| ChEMBL ID | CHEMBL3234068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCCQWQZDTQWUQW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
3.95
ALogP
7
HBA
1
HBD
110.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.48 | 8.47 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.3 | nM | 8.48 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 | 24568587 |
| Plasmodium falciparum | IC50 | = | 3.5 | nM | 8.46 | Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 | 24568587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24568587 | 10.1021/jm500098s | Plasmodium falciparum | 2 |
| 24568587 | 10.1021/jm500098s | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine