Compound Detail
CHEMBL4166227
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Basic Information
| ChEMBL ID | CHEMBL4166227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYHIKEVJXNADIY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4302279 |
| Active Moiety | CHEMBL4302279 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
313.6
MW (Da)
0.45
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.3 | 7.23 | 50.0 | 2 |
| Plasmodium knowlesi CHEMBL613011 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Growth inhibition of CQ-sensitive GFP-fused Plasmodium falciparum D10 after 90 h... | 29269132 |
| Plasmodium falciparum | IC50 | = | 70.0 | nM | 7.16 | Growth inhibition of drug-resistant GFP-fused Plasmodium falciparum D10 after 90... | 29269132 |
| Plasmodium knowlesi | IC50 | = | 80.0 | nM | 7.1 | Growth inhibition of Plasmodium knowlesi YH1 after 50 hrs by ethidium bromide st... | 29269132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Unchecked | 28 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Pseudomonas aeruginosa | 6 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Acinetobacter baumannii | 6 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Klebsiella pneumoniae | 5 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Escherichia coli | 3 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Staphylococcus aureus | 3 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Plasmodium falciparum | 2 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Enterococcus faecium | 1 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Mycobacterium tuberculosis | 1 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | Plasmodium knowlesi | 1 |
| 29269132 | 10.1016/j.ejmech.2017.10.010 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine