Compound Detail
CHEMBL4747451
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 | CHEMBL4747451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTQAEMWLSJHFBO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.07
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| L6 CHEMBL614793 | IC50 | 5.43 | 5.43 | 3670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.1 | nM | 8.68 | Antimalarial activity against Plasmodium falciparum NF54 assessed as inhibition ... | 33524940 |
| L6 | IC50 | = | 3670.0 | nM | 5.43 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability incuba... | 33524940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33524940 | 10.1016/j.bmc.2021.116018 | Plasmodium falciparum | 1 |
| 33524940 | 10.1016/j.bmc.2021.116018 | L6 | 1 |
| 33524940 | 10.1016/j.bmc.2021.116018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine