Compound Detail
CHEMBL149894
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Basic Information
| ChEMBL ID | CHEMBL149894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFWKXWYOKLZDTB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181000 |
| Active Moiety | CHEMBL1181000 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
254.5
MW (Da)
5.15
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 220.0 | nM | 6.66 | In vitro activity against Plasmodium falciparum | 10669577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33516911 | 10.1016/j.bmcl.2021.127809 | Staphylococcus aureus | 3 |
| 10669577 | 10.1021/jm9911027 | Plasmodium falciparum | 1 |
| 33516911 | 10.1016/j.bmcl.2021.127809 | Enterococcus faecalis | 1 |
| 33516911 | 10.1016/j.bmcl.2021.127809 | Pseudomonas aeruginosa | 1 |
| 33516911 | 10.1016/j.bmcl.2021.127809 | Escherichia coli | 1 |
| 33516911 | 10.1016/j.bmcl.2021.127809 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine