Compound Detail
CHEMBL4238529
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 | CHEMBL4238529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXQAFIKIXYPMBF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.7
MW (Da)
4.45
ALogP
3
HBA
2
HBD
37.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.29 | 5.9933 | 510.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 510.0 | nM | 6.29 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 29571157 |
| Plasmodium falciparum | IC50 | = | 1100.0 | nM | 5.96 | Gametocytocidal activity against Plasmodium falciparum 3D7 elo1-pfs16-CBG99 late... | 29571157 |
| Plasmodium falciparum | IC50 | = | 1870.0 | nM | 5.73 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 29571157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29571157 | 10.1016/j.ejmech.2018.03.024 | Plasmodium falciparum | 5 |
| 29571157 | 10.1016/j.ejmech.2018.03.024 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine