Compound Detail
CHEMBL5272888
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Basic Information
| ChEMBL ID | CHEMBL5272888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXGQNHKOYDEQMJ-CQSZACIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
4.21
ALogP
5
HBA
4
HBD
77.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 0.4 | nM | 9.4 | Antiprotozoal activity against Trypanosoma brucei | 28886510 |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Trypanosoma brucei MetRS | 28886510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Unchecked | 1 |
| 28886510 | 10.1016/j.ejmech.2017.08.014 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine