Compound Detail
CHEMBL3818937
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O=C1C(Cl)=C(N(C(=O)c2cccc(Cl)c2)C(=O)c2cccc(Cl)c2)C(=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3818937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKFYRQOCVYGFLQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
5.81
ALogP
4
HBA
0
HBD
71.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.65 | 5.65 | 2230.0 | 1 |
| Tubulin alpha chain CHEMBL3988589 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2230.0 | nM | 5.65 | Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi Tulahu... | 27345756 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Trypanosoma cruzi tubulin polymerization incubated at room tempera... | 27345756 |
| Tubulin alpha chain | IC50 | = | 8000.0 | nM | 5.1 | Assembly Assay: Tubulin assembly assays were conducted to assess tubulin polymer... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27345756 | 10.1016/j.bmc.2016.06.031 | Trypanosoma cruzi | 1 |
| 27345756 | 10.1016/j.bmc.2016.06.031 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine