Compound Detail
CHEMBL234180
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Basic Information
| ChEMBL ID | CHEMBL234180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKWREJXZIHDJSL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
253.7
MW (Da)
2.25
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.01
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.76 | 5.76 | 1737.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 980.0 | nM | 6.01 | Antiproliferative activity against Trypanosoma brucei | 17197182 |
| Unchecked | EC50 | = | 1737.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Trypanothione reductase | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Glutathione reductase, mitochondrial | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Unchecked | 1 |
| 17197182 | 10.1016/j.bmcl.2006.12.016 | Trypanosoma brucei | 1 |
| 17545669 | 10.1074/jbc.m701857200 | Sortase A | 1 |
| 17545669 | 10.1074/jbc.m701857200 | Unchecked | 1 |
| 17545669 | 10.1074/jbc.m701857200 | Papain | 1 |
Data from ChEMBL 36 via Core Engine