Compound Detail
CHEMBL4243481
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Basic Information
| ChEMBL ID | CHEMBL4243481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPMJULKPSZLTME-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
6.86
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas.
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of recombinant N-terminal His6 tagged SUMO-fused Trypanosoma brucei b... | 29544150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Trypanosoma brucei brucei | 4 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Unchecked | 1 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Trypanosoma congolense | 1 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | HFF | 1 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine