Compound Detail
CHEMBL1800625
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CN(C)CCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12.CS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL1800625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXGBHRGPDRAQBH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1802867 |
| Active Moiety | CHEMBL1802867 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.4
MW (Da)
5.02
ALogP
5
HBA
1
HBD
56.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 140.0 | nM | 6.85 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 infec... | 21644541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21644541 | 10.1021/jm200227r | Plasmodium berghei | 4 |
| 21644541 | 10.1021/jm200227r | Plasmodium falciparum | 1 |
| 21644541 | 10.1021/jm200227r | L6 | 1 |
Data from ChEMBL 36 via Core Engine