Compound Detail
CHEMBL4291844
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Basic Information
| ChEMBL ID | CHEMBL4291844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTPIAGPSTYVUFS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.0
MW (Da)
5.67
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.04 | 8.235 | 0.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.92 | nM | 9.04 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCR-... | 30344903 |
| Unchecked | IC50 | = | 0.92 | nM | 9.04 | Inhibition of Plasmodium falciparum FCR-3 HDP expressed in Escherichia coli asse... | 30344903 |
| Plasmodium falciparum | IC50 | = | 37.0 | nM | 7.43 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | 30344903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Unchecked | 5 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Plasmodium falciparum | 3 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine