Compound Detail
CHEMBL3637899
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3637899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONCZDRURRATYFI-QTCHDTBASA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
4.17
ALogP
6
HBA
0
HBD
69.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.58 | 4.525 | 26160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum 3D7 IC50 (uM) | - |
| Trypanosoma cruzi | IC50 | = | 1940.0 | nM | 5.71 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 26160.0 | nM | 4.58 | AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 33620.0 | nM | 4.47 | AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22761173 | 10.1002/ps.3358 | Cercospora beticola | 49 |
| - | 10.1016/j.cropro.2006.08.005 | Fulvia fulva | 21 |
| 20949548 | 10.1002/ps.2029 | Erysiphe necator | 12 |
| 22488841 | 10.1002/ps.3281 | Botrytis cinerea | 11 |
| 18598043 | 10.1021/jf800651z | Blumeria graminis | 5 |
| - | 10.1016/j.cropro.2005.06.008 | Verticillium dahliae | 3 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.1016/j.cropro.2005.06.008 | Solanum melongena | 2 |
| - | 10.1016/j.cropro.2005.06.008 | Solanum lycopersicum | 2 |
| - | 10.1016/j.cropro.2005.06.008 | Pseudopyrenochaeta lycopersici | 2 |
| 37871407 | 10.1016/j.ejmech.2023.115885 | Toxoplasma gondii | 1 |
| 18547049 | 10.1021/jf800273t | Colletotrichum lagenaria | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | Plasmodium berghei | 1 |
| - | 10.6019/CHEMBL3832761 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| 18547049 | 10.1021/jf800273t | Pyricularia oryzae | 1 |
| 18547049 | 10.1021/jf800273t | Botrytis cinerea | 1 |
| 18547049 | 10.1021/jf800273t | Pseudoperonospora cubensis | 1 |
Data from ChEMBL 36 via Core Engine