Compound Detail
CHEMBL1200010
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Basic Information
| ChEMBL ID | CHEMBL1200010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZCRZMQUACKMRT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
208.3
MW (Da)
1.75
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 5200.0 | nM | 5.28 | Antiparasitic activity against Trypanosoma brucei 427 bloodstream forms assessed... | 20805012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20805012 | 10.1016/j.ejmech.2010.08.009 | Trypanosoma brucei | 2 |
| 20805012 | 10.1016/j.ejmech.2010.08.009 | MDCK | 1 |
| 20805012 | 10.1016/j.ejmech.2010.08.009 | H3N2 subtype | 1 |
Data from ChEMBL 36 via Core Engine