Compound Detail
CHEMBL3104874
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 | CHEMBL3104874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZMHHVFUMWLAY-RMKNXTFCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.34
ALogP
7
HBA
3
HBD
121.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.05 | 5.05 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24326280 |
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antimalarial activity against Plasmodium falciparum Dd2 by 96-well microtitre pl... | 33333397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24326280 | 10.1016/j.bmc.2013.11.032 | Plasmodium falciparum | 1 |
| 24326280 | 10.1016/j.bmc.2013.11.032 | A2780 | 1 |
| 33333397 | 10.1016/j.ejmech.2020.113084 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine