Compound Detail
CHEMBL4548998
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 | CHEMBL4548998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHASYJQFXZYSCQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
6.41
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.7 | 5.98 | 201.0 | 2 |
| CHO CHEMBL613853 | IC50 | 4.38 | 4.38 | 42010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 201.0 | nM | 6.7 | Antiplasmodial activity against chloroquine-resistant asexual blood stage of Pla... | 31301563 |
| Plasmodium falciparum | IC50 | = | 5550.0 | nM | 5.26 | Antiplasmodial activity against chloroquine-sensitive asexual blood stage of Pla... | 31301563 |
| CHO | IC50 | = | 42010.0 | nM | 4.38 | Cytotoxicity against CHO cells measured after 48 hrs by MTT assay | 31301563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31301563 | 10.1016/j.ejmech.2019.06.069 | Mycobacterium tuberculosis | 4 |
| 31301563 | 10.1016/j.ejmech.2019.06.069 | Unchecked | 3 |
| 31301563 | 10.1016/j.ejmech.2019.06.069 | Plasmodium falciparum | 2 |
| 31301563 | 10.1016/j.ejmech.2019.06.069 | CHO | 1 |
Data from ChEMBL 36 via Core Engine