Compound Detail
CHEMBL117442
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Basic Information
| ChEMBL ID | CHEMBL117442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJYJPXDRLWCEKB-PWNYCUMCSA-N |
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
151.1
MW (Da)
-2.79
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.22
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.0
IC50 3 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 100.0 | nM | 7.0 | Inhibition of xylose isomerase | 21236668 |
| Plasmodium falciparum | IC50 | = | 18000.0 | nM | 4.75 | In vitro antiparasitic activity against Plasmodium falciparum | 15189039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686542 | 10.1021/jm060047g | S-ribosylhomocysteine lyase | 5 |
| 15189039 | 10.1021/jm031066i | Trypanosoma brucei | 1 |
| 15189039 | 10.1021/jm031066i | Trypanosoma cruzi | 1 |
| 15189039 | 10.1021/jm031066i | Leishmania donovani | 1 |
| 15189039 | 10.1021/jm031066i | Plasmodium falciparum | 1 |
| 15189039 | 10.1021/jm031066i | L6 | 1 |
| 21236668 | 10.1016/j.bmcl.2010.12.066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine