Compound Detail
CHEMBL3623046
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Basic Information
| ChEMBL ID | CHEMBL3623046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URKFNSOJTMQGLY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
2.97
ALogP
4
HBA
1
HBD
71.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 440.0 | nM | 6.36 | Antitrypanosomal activity against Trypanosoma brucei brucei BSF427 VSG118 bloods... | 26418485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Liver microsome | 2 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Trypanosoma brucei brucei | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | MRC5 | 1 |
| 26418485 | 10.1021/acs.jmedchem.5b00596 | Liver | 1 |
Data from ChEMBL 36 via Core Engine