Compound Detail
CHEMBL3588897
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Basic Information
| ChEMBL ID | CHEMBL3588897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRDGXYZZWSIADF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
198.1
MW (Da)
-0.14
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 25089179 |
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antimalarial activity against Plasmodium falciparum FCR-3/Gambia | 25089179 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of inositol monophosphatase (unknown origin) | 25089179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25089179 | 10.1039/c4md00055b | Plasmodium falciparum | 3 |
| 25089179 | 10.1039/c4md00055b | Unchecked | 1 |
| 25089179 | 10.1039/c4md00055b | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine