Compound Detail
CHEMBL2098075
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Basic Information
| ChEMBL ID | CHEMBL2098075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPSXYPQHBJUCOE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
313.8
MW (Da)
3.89
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2500.0 | nM | 5.6 | Antitrypanosomal activity against Trypanosoma cruzi infected in rat H9c2 infecte... | 33479668 |
| Trypanosoma brucei brucei | IC50 | = | 3100.0 | nM | 5.51 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 infected ... | 33479668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis variant bovis BCG | 1 |
| 33479668 | 10.1039/d0md00058b | HEK293 | 1 |
| 33479668 | 10.1039/d0md00058b | Trypanosoma cruzi | 1 |
| 33479668 | 10.1039/d0md00058b | Trypanosoma brucei brucei | 1 |
| 33479668 | 10.1039/d0md00058b | H9c2 | 1 |
| 33479668 | 10.1039/d0md00058b | HepG2 | 1 |
| 33479668 | 10.1039/d0md00058b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine