Compound Detail
CHEMBL1312050
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Basic Information
| ChEMBL ID | CHEMBL1312050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLEAEDYSPVHUEP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
367.9
MW (Da)
5.37
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9.0 | nM | 8.05 | Antimalarial activity against Plasmodium falciparum K1 assessed as parasite grow... | 34710743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22421021 | 10.1016/j.bmcl.2012.02.020 | Nucleic Acid | 3 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Unchecked | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Escherichia coli | 2 |
| 21831641 | 10.1016/j.bmc.2011.07.020 | Staphylococcus aureus | 2 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine