Compound Detail
CHEMBL4577649
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Basic Information
| ChEMBL ID | CHEMBL4577649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWXPSWOLAMCCLN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.66
ALogP
7
HBA
2
HBD
90.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.97 | 4.78 | 10800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 10800.0 | nM | 4.97 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 inf... | 26928423 |
| Plasmodium falciparum | IC50 | = | 25600.0 | nM | 4.59 | Antiplasmodial activity against chloroquine/antifolate-sensitive Plasmodium falc... | 26928423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Plasmodium falciparum | 2 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Vero | 1 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | KB | 1 |
Data from ChEMBL 36 via Core Engine