Compound Detail
CHEMBL555125
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Basic Information
| ChEMBL ID | CHEMBL555125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEFSCDLYLBXZQX-DTWKUNHWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
-1.00
ALogP
10
HBA
4
HBD
139.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.85 | 4.7567 | 14000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 14000.0 | nM | 4.85 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 17954686 |
| Trypanosoma brucei brucei | IC50 | = | 15000.0 | nM | 4.82 | Antitrypanosomal activity against pentamidine and melarsoprol-resistant bloodstr... | 17954686 |
| Trypanosoma brucei brucei | IC50 | = | 25000.0 | nM | 4.6 | Antitrypanosomal activity against diamidine and melarsoprol-resistant bloodstrea... | 17954686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17954686 | 10.1128/aac.00480-07 | Trypanosoma brucei brucei | 4 |
| 17954686 | 10.1128/aac.00480-07 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine