Compound Detail
CHEMBL3215933
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Cl.Cl.Cl.N=C(Nc1ccc(-c2cc(Cl)cc(-c3cccc(NC(=N)c4ccccc4)c3)c2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3215933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBFJSZBWZZNOTN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040174 |
| Active Moiety | CHEMBL3040174 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
501.0
MW (Da)
8.55
ALogP
2
HBA
4
HBD
71.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 39.0 | nM | 7.41 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum K1 af... | 23795673 |
| Trypanosoma brucei rhodesiense | IC50 | = | 178.0 | nM | 6.75 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 after 72 h... | 23795673 |
| Leishmania amazonensis | IC50 | = | 1020.0 | nM | 5.99 | Antiprotozoal activity against intracellular amastigote form of Leishmania amazo... | 23795673 |
| Trypanosoma cruzi | IC50 | = | 2040.0 | nM | 5.69 | Antiprotozoal activity against intracellular amastigote form of Trypanosoma cruz... | 23795673 |
| L6 | IC50 | = | 2270.0 | nM | 5.64 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 23795673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23795673 | 10.1021/jm400508e | Unchecked | 4 |
| 23795673 | 10.1021/jm400508e | L6 | 1 |
| 23795673 | 10.1021/jm400508e | Trypanosoma cruzi | 1 |
| 23795673 | 10.1021/jm400508e | Leishmania amazonensis | 1 |
| 23795673 | 10.1021/jm400508e | Trypanosoma brucei rhodesiense | 1 |
| 23795673 | 10.1021/jm400508e | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine