Compound Detail
CHEMBL572594
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Basic Information
| ChEMBL ID | CHEMBL572594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHSGVSRUESNUOX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
5.77
ALogP
5
HBA
4
HBD
84.3
PSA (Ų)
0.14
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.32 | 6.93 | 48.4 | 2 |
| KB CHEMBL398 | IC50 | 5.27 | 5.27 | 5340.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 48.4 | nM | 7.32 | Antimalarial activity against chloroquine-susceptible Plasmodium falciparum 3D7 ... | 19811859 |
| Plasmodium falciparum | IC50 | = | 290.0 | nM | 6.54 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | 19811859 |
| KB | IC50 | = | 5340.0 | nM | 5.27 | Cytotoxicity against human KB cells after 72 hrs by Alamar blue assay | 19811859 |
| Leishmania donovani | IC50 | = | 7100.0 | nM | 5.15 | Antileishmanial activity against Leishmania donovani MHOM/ET/ 67/HU3 amastigote ... | 19811859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19811859 | 10.1016/j.ejmech.2009.09.012 | Plasmodium falciparum | 2 |
| 19811859 | 10.1016/j.ejmech.2009.09.012 | Leishmania donovani | 1 |
| 19811859 | 10.1016/j.ejmech.2009.09.012 | KB | 1 |
Data from ChEMBL 36 via Core Engine