Compound Detail
CHEMBL472854
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Basic Information
| ChEMBL ID | CHEMBL472854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYLYXPZYFFLBLV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
3.56
ALogP
6
HBA
1
HBD
84.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.69 | 5.41 | 2050.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.35 | 5.35 | 4440.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 2050.0 | nM | 5.69 | AntiLeishmania activity L. donovani (axenic) IC50 (uM) | - |
| Trypanosoma cruzi | IC50 | = | 4440.0 | nM | 5.35 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
| Leishmania donovani | IC50 | = | 7400.0 | nM | 5.13 | Antileishmanial activity against Leishmania donovani | 19091562 |
| Plasmodium falciparum | IC50 | = | 8200.0 | nM | 5.09 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 19091562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL3832761 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3832761 | Leishmania | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| 19091562 | 10.1016/j.bmcl.2008.11.098 | L6 | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| - | 10.6019/CHEMBL3832761 | L6 | 1 |
| 19091562 | 10.1016/j.bmcl.2008.11.098 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine