Compound Detail
CHEMBL227667
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Basic Information
| ChEMBL ID | CHEMBL227667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCGVWURENBVVQG-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.71
ALogP
6
HBA
2
HBD
74.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.01 | 6.01 | 973.5 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.52 | 5.385 | 3000.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.52 | 4.52 | 30200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 77.0 | nM | 7.11 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 17439202 |
| Trypanosoma brucei rhodesiense | IC50 | = | 973.5 | nM | 6.01 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 17439202 |
| Trypanosoma brucei | IC50 | = | 3000.0 | nM | 5.52 | AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 5630.0 | nM | 5.25 | AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) | - |
| L6 | IC50 | = | 30200.0 | nM | 4.52 | Cytotoxicity against rat L6 cells | 17439202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 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 |
| 17439202 | 10.1021/jm0612867 | Trypanosoma brucei rhodesiense | 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 |
| 17439202 | 10.1021/jm0612867 | L6 | 1 |
| 17439202 | 10.1021/jm0612867 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine