Compound Detail
CHEMBL536806
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Basic Information
| ChEMBL ID | CHEMBL536806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUJSGIUJPLJCOO-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.13
ALogP
4
HBA
1
HBD
56.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.8 | 6.5525 | 160.0 | 4 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.92 | 5.7 | 1200.0 | 2 |
| HeLa CHEMBL399 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 160.0 | nM | 6.8 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum 3D7 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 260.0 | nM | 6.58 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum Dd2 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 370.0 | nM | 6.43 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum W2 IC50 (uM) | - |
| Plasmodium falciparum | IC50 | = | 400.0 | nM | 6.4 | Antimalarial activity: Gametocytes Plasmodium falciparum NF54 Gametocytes Stage ... | - |
| Trypanosoma brucei brucei | IC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Trypanosoma brucei brucei | IC50 | = | 3290.0 | nM | 5.48 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| HeLa | IC50 | = | 5400.0 | nM | 5.27 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability af... | 30647879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Plasmodium falciparum | 5 |
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 3 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 2 |
| - | 10.6019/CHEMBL3832761 | Plasmodium berghei | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| 30647879 | 10.1039/C8MD00319J | Unchecked | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine