Compound Detail
CHEMBL400221
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Basic Information
| ChEMBL ID | CHEMBL400221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYSJEPTYGLQFFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
5.13
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.31 | 5.31 | 4930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 4930.0 | nM | 5.31 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 72 hrs by... | 17544672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17544672 | 10.1016/j.bmc.2007.05.042 | Trypanosoma brucei rhodesiense | 1 |
| 17544672 | 10.1016/j.bmc.2007.05.042 | Plasmodium falciparum | 1 |
| 17544672 | 10.1016/j.bmc.2007.05.042 | L6 | 1 |
Data from ChEMBL 36 via Core Engine