Compound Detail
CHEMBL3885085
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 | CHEMBL3885085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWQQOMZWDINTLN-CXUHLZMHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.56
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.4 | 7.4 | 40.2 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Myeloperoxidase CHEMBL2439 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 40.2 | nM | 7.4 | Antimalarial activity against Plasmodium falciparum RKL9 infected in human RBC a... | 33895706 |
| Plasmodium berghei | IC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against Plasmodium berghei ANKA infected in mouse assessed... | 35985254 |
| Myeloperoxidase | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human MPO | 28197313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28197313 | 10.1021/acsmedchemlett.6b00417 | Myeloperoxidase | 4 |
| 28302506 | 10.1016/j.bmc.2017.02.044 | Xanthine dehydrogenase/oxidase | 1 |
| 33895706 | 10.1016/j.bmc.2021.116159 | Plasmodium falciparum | 1 |
| 35985254 | 10.1016/j.ejmech.2022.114653 | Plasmodium falciparum | 1 |
| 35985254 | 10.1016/j.ejmech.2022.114653 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine