Compound Detail
CHEMBL3217055
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Basic Information
| ChEMBL ID | CHEMBL3217055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQGHEFJZJLYWPT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3139599 |
| Active Moiety | CHEMBL3139599 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.97
ALogP
5
HBA
4
HBD
138.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.92 | 7.92 | 12.1 | 1 |
| L6 CHEMBL614793 | IC50 | 4.45 | 4.45 | 35900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9.6 | nM | 8.02 | Antiplasmodial activity against chloroquine/pyrimethamine-resistant Plasmodium f... | 24268543 |
| Trypanosoma brucei rhodesiense | IC50 | = | 12.1 | nM | 7.92 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 assesse... | 24268543 |
| L6 | IC50 | = | 35900.0 | nM | 4.45 | Cytotoxicity against rat L6 cells assessed as cell viability after 70 hrs by Ala... | 24268543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24268543 | 10.1016/j.bmc.2013.10.050 | Trypanosoma brucei rhodesiense | 2 |
| 24268543 | 10.1016/j.bmc.2013.10.050 | Unchecked | 2 |
| 24268543 | 10.1016/j.bmc.2013.10.050 | L6 | 1 |
| 24268543 | 10.1016/j.bmc.2013.10.050 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine