Compound Detail
CHEMBL61342
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 | CHEMBL61342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRWLZKSQGKNQKR-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
6.49
ALogP
7
HBA
3
HBD
70.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.33 | 6.1175 | 470.0 | 4 |
| L6 CHEMBL614793 | IC50 | 5.32 | 5.32 | 4810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 470.0 | nM | 6.33 | In vitro antimalarial activity against Thai strain of Plasmodium falciparum | 15055999 |
| Plasmodium falciparum | IC50 | = | 790.0 | nM | 6.1 | In vitro antimalarial activity against Plasmodium falciparum K1 | 15055999 |
| Plasmodium falciparum | IC50 | = | 790.0 | nM | 6.1 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 18395298 |
| Plasmodium falciparum | IC50 | = | 1140.0 | nM | 5.94 | In vitro antimalarial activity against Plasmodium falciparum FcB1 | 15055999 |
| L6 | IC50 | = | 4810.0 | nM | 5.32 | In vitro cytotoxicity against mammalian L6 cells was determined | 15055999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15055999 | 10.1021/jm0310840 | Plasmodium falciparum | 5 |
| 15055999 | 10.1021/jm0310840 | L6 | 2 |
| 15055999 | 10.1021/jm0310840 | No relevant target | 2 |
| 15055999 | 10.1021/jm0310840 | Unchecked | 1 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine