Compound Detail
CHEMBL4237659
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Basic Information
| ChEMBL ID | CHEMBL4237659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOIDWVNHYWTBLK-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
6.76
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.17
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.17 | 5.075 | 6800.0 | 4 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.76 | 4.76 | 17300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant N-terminal His6 tagged SUMO-fused Trypanosoma brucei b... | 29544150 |
| Trypanosoma brucei brucei | EC50 | = | 6800.0 | nM | 5.17 | Anti-parasitic activity against bloodstream trypomastigote stage of Trypanosoma ... | 29544150 |
| Trypanosoma brucei brucei | EC50 | = | 7000.0 | nM | 5.16 | Anti-parasitic activity against bloodstream trypomastigote stage of Trypanosoma ... | 29544150 |
| Trypanosoma brucei brucei | EC50 | = | 7190.0 | nM | 5.14 | Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... | 29544150 |
| Trypanosoma brucei brucei | EC50 | = | 14700.0 | nM | 4.83 | Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... | 29544150 |
| Trypanosoma brucei | EC50 | = | 17300.0 | nM | 4.76 | Anti-parasitic activity against bloodstream trypomastigote stage of pentamidine/... | 29544150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Trypanosoma brucei brucei | 7 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Unchecked | 3 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Trypanosoma brucei | 1 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | HFF | 1 |
| 29544150 | 10.1016/j.ejmech.2018.02.075 | Trypanosoma congolense | 1 |
Data from ChEMBL 36 via Core Engine