Compound Detail
CHEMBL490074
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Basic Information
| ChEMBL ID | CHEMBL490074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEAHEWHKQPPKQE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
381.7
MW (Da)
3.20
ALogP
4
HBA
0
HBD
86.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.15 | 6.09 | 710.0 | 2 |
| KB CHEMBL398 | IC50 | 5.63 | 5.63 | 2350.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 710.0 | nM | 6.15 | Antimalarial activity after 48 hrs against chloroquine-sensitive Plasmodium falc... | 18215443 |
| Plasmodium falciparum | IC50 | = | 930.0 | nM | 6.03 | Antimalarial activity after 48 hrs against chloroquine-resistant Plasmodium falc... | 18215443 |
| KB | IC50 | = | 2350.0 | nM | 5.63 | Cytotoxicity against human KB cells after 48 hrs by alamar blue assay | 18215443 |
| Trypanosoma cruzi | IC50 | = | 8300.0 | nM | 5.08 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes | 20634064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18215443 | 10.1016/j.ejmech.2007.11.024 | Unchecked | 3 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Mycobacterium tuberculosis | 2 |
| 18215443 | 10.1016/j.ejmech.2007.11.024 | Plasmodium falciparum | 2 |
| 20634064 | 10.1016/j.bmcl.2010.06.101 | Trypanosoma cruzi | 2 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Vero | 1 |
| 19058970 | 10.1016/j.bmc.2008.10.086 | Unchecked | 1 |
| 18215443 | 10.1016/j.ejmech.2007.11.024 | KB | 1 |
| 20634064 | 10.1016/j.bmcl.2010.06.101 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine