Compound Detail
CHEMBL564236
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CCn1cc/c(=N\c2cccc(CCc3ccc(OC)cc3)c2)c(Cl)c1.O=S(=O)(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL564236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKEYXMJSQSDFBL-HDPAMLMOSA-N |
| Parent Compound | CHEMBL1197257 |
| Active Moiety | CHEMBL1197257 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
5.19
ALogP
3
HBA
0
HBD
26.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.46 | 5.43 | 3440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3440.0 | nM | 5.46 | Antimalarial activity after 48 hrs against chloroquine-resistant Plasmodium falc... | 19467600 |
| Plasmodium falciparum | IC50 | = | 3950.0 | nM | 5.4 | Antimalarial activity after 48 hrs against atovaquone-resistant Plasmodium falci... | 19467600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19467600 | 10.1016/j.bmcl.2009.05.017 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine