Compound Detail
CHEMBL3637905
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Cc1cc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCc1ccc2c(c1)C(C)(C)OB2O
Basic Information
| ChEMBL ID | CHEMBL3637905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXKBOWDIIISNFX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
609.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Brugia malayi CHEMBL613140 | IC50 | 5.52 | 5.52 | 3040.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Brugia malayi | IC50 | = | 3040.0 | nM | 5.52 | AntiBrugia malayi activity Effect on motility | - |
| HeLa | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability af... | 30647879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 3 |
| - | 10.6019/CHEMBL3832761 | Brugia malayi | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| 30647879 | 10.1039/C8MD00319J | Unchecked | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine