Compound Detail
CHEMBL3814553
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Basic Information
| ChEMBL ID | CHEMBL3814553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHRMWQIDINPTSM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
5.03
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.11 | 5.11 | 7850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 690.0 | nM | 6.16 | Antiplasmodial activity against chloroquine/pyrimethamine resistant Plasmodium f... | 27344215 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1490.0 | nM | 5.83 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 27344215 |
| L6 | IC50 | = | 7850.0 | nM | 5.11 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability after ... | 27344215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27344215 | 10.1016/j.bmc.2016.06.024 | Unchecked | 2 |
| 27344215 | 10.1016/j.bmc.2016.06.024 | Plasmodium falciparum | 1 |
| 27344215 | 10.1016/j.bmc.2016.06.024 | Trypanosoma brucei rhodesiense | 1 |
| 27344215 | 10.1016/j.bmc.2016.06.024 | L6 | 1 |
Data from ChEMBL 36 via Core Engine