Compound Detail
CHEMBL520654
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Basic Information
| ChEMBL ID | CHEMBL520654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCGRUHAJSQVIGC-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.81
ALogP
6
HBA
2
HBD
71.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.11 | 5.475 | 780.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.88 | 4.88 | 13330.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.7 | 4.7 | 19900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 32.0 | nM | 7.5 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 18841956 |
| Trypanosoma brucei rhodesiense | IC50 | = | 124.0 | nM | 6.91 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 18841956 |
| Trypanosoma brucei | IC50 | = | 780.0 | nM | 6.11 | AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) | - |
| Leishmania donovani | IC50 | = | 4500.0 | nM | 5.35 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic a... | 18841956 |
| Trypanosoma cruzi | IC50 | = | 13330.0 | nM | 4.88 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 14490.0 | nM | 4.84 | AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) | - |
| L6 | IC50 | = | 19900.0 | nM | 4.7 | Cytotoxicity against rat L6 cells | 18841956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18841956 | 10.1021/jm800918v | Trypanosoma brucei rhodesiense | 3 |
| 18841956 | 10.1021/jm800918v | Unchecked | 3 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL4513149 | HEK293 | 1 |
| 18841956 | 10.1021/jm800918v | L6 | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 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 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| 18841956 | 10.1021/jm800918v | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine