Compound Detail
CHEMBL220191
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Basic Information
| ChEMBL ID | CHEMBL220191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATIHADHTPYSEIA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
6.26
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.94 | 4.94 | 11590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 370.0 | nM | 6.43 | Antiprotozoal activity against chloroquine-, pyrimethamine-resistant Plasmodium ... | 16889962 |
| Trypanosoma brucei rhodesiense | IC50 | = | 440.0 | nM | 6.36 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 | 16889962 |
| L6 | IC50 | = | 11590.0 | nM | 4.94 | Cytotoxicity against L6 cells | 16889962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16889962 | 10.1016/j.bmcl.2006.07.057 | Unchecked | 2 |
| 16889962 | 10.1016/j.bmcl.2006.07.057 | Trypanosoma brucei rhodesiense | 1 |
| 16889962 | 10.1016/j.bmcl.2006.07.057 | Plasmodium falciparum | 1 |
| 16889962 | 10.1016/j.bmcl.2006.07.057 | L6 | 1 |
Data from ChEMBL 36 via Core Engine