Compound Detail
CHEMBL3597022
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Basic Information
| ChEMBL ID | CHEMBL3597022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYKBQNOPCSXWBL-PLNGDYQASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.32
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.16 | 5.16 | 6999.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 6999.0 | nM | 5.16 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as inhi... | 25637120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25637120 | 10.1016/j.bmc.2014.12.066 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine