Compound Detail
CHEMBL220636
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O=C(NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1-c1c(C/C(=N/O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N\O)ccc(O)c1Br)=N\O)/C(Cc1ccc(O)c(Br)c1)=N\O
Basic Information
| ChEMBL ID | CHEMBL220636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYUWYDIMTUGMBE-ZAWKMVGTSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1326.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.28
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
| CHO-K1 CHEMBL614031 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against Trypanosoma brucei by Alamar blue assay | 16962325 |
| CHO-K1 | EC50 | = | 6000.0 | nM | 5.22 | Cytotoxicity against CHO-K1 cells by Alamar blue assay | 16962325 |
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of Trypanosoma brucei GalE by HPAEC assay | 16962325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16962325 | 10.1016/j.bmcl.2006.08.091 | Unchecked | 2 |
| 16962325 | 10.1016/j.bmcl.2006.08.091 | UDP-glucose 4-epimerase | 1 |
| 16962325 | 10.1016/j.bmcl.2006.08.091 | Trypanosoma brucei | 1 |
| 16962325 | 10.1016/j.bmcl.2006.08.091 | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine