Compound Detail
CHEMBL3288918
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Cc1csc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5nc(C)cs5)cc4OC(C)C)o3)c(OC(C)C)c2)n1.Cl
Basic Information
| ChEMBL ID | CHEMBL3288918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBGAPCRGMLIZEM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3304467 |
| Active Moiety | CHEMBL3304467 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
614.8
MW (Da)
8.59
ALogP
9
HBA
4
HBD
129.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 6.0 | 999.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.11 | 4.11 | 78600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 999.0 | nM | 6.0 | Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 af... | 24956553 |
| Trypanosoma brucei rhodesiense | IC50 | = | 78600.0 | nM | 4.11 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 trypomasti... | 24956553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24956553 | 10.1016/j.ejmech.2014.06.022 | Unchecked | 4 |
| 24956553 | 10.1016/j.ejmech.2014.06.022 | L6 | 1 |
| 24956553 | 10.1016/j.ejmech.2014.06.022 | Trypanosoma cruzi | 1 |
| 24956553 | 10.1016/j.ejmech.2014.06.022 | Leishmania amazonensis | 1 |
| 24956553 | 10.1016/j.ejmech.2014.06.022 | Trypanosoma brucei rhodesiense | 1 |
| 24956553 | 10.1016/j.ejmech.2014.06.022 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine