Compound Detail
CHEMBL139243
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Basic Information
| ChEMBL ID | CHEMBL139243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSOPCRYPVDDVAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
-0.27
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 8000.0 | nM | 5.1 | Effective concentration in vitro against the bloodstream trypomastigote form of ... | 12540242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12540242 | 10.1021/jm021030a | Trypanosoma brucei | 4 |
| 12540242 | 10.1021/jm021030a | Trypanosoma cruzi | 4 |
| 12540242 | 10.1021/jm021030a | Leishmania infantum | 4 |
| 12540242 | 10.1021/jm021030a | Mus musculus | 4 |
Data from ChEMBL 36 via Core Engine