Compound Detail
CHEMBL1684454
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Basic Information
| ChEMBL ID | CHEMBL1684454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUXGOUHZFGKIDE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL323233 |
| Active Moiety | CHEMBL323233 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.84
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 880.0 | nM | 6.06 | Trypanocidal activity against bloodstream form of Trypanosoma brucei 427 after 4... | 21315611 |
| L6 | IC50 | = | 11600.0 | nM | 4.94 | Cytotoxicity against rat L6 cells after 6 days by Alamar blue assay | 21315611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21315611 | 10.1016/j.bmc.2011.01.028 | Trypanosoma brucei | 2 |
| 21315611 | 10.1016/j.bmc.2011.01.028 | L6 | 1 |
| 21315611 | 10.1016/j.bmc.2011.01.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine