Compound Detail
CHEMBL374279
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL374279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNHCTIJEXFJOKI-ZRDIBKRKSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.75
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.55
Ki 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.55 | 5.545 | 2800.0 | 2 |
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | Ki | 4.67 | 4.67 | 21300.0 | 1 |
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | IC50 | 4.4 | 4.4 | 39500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2800.0 | nM | 5.55 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
| Plasmodium falciparum | IC50 | = | 2900.0 | nM | 5.54 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
| Low molecular weight protein-tyrosine phosphatase A | Ki | = | 21300.0 | nM | 4.67 | Inhibition of Mycobacterium tuberculosis PTPA-mediated pNPP hydrolysis | 20462762 |
| Low molecular weight protein-tyrosine phosphatase A | IC50 | = | 39500.0 | nM | 4.4 | Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatas... | 18930396 |
| Low molecular weight protein-tyrosine phosphatase A | IC50 | = | 39500.0 | nM | 4.4 | Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA | 20462762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20462762 | 10.1016/j.bmc.2010.04.051 | Mycobacterium tuberculosis | 5 |
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
| 20462762 | 10.1016/j.bmc.2010.04.051 | Low molecular weight protein-tyrosine phosphatase A | 3 |
| 18930396 | 10.1016/j.bmcl.2008.09.105 | Low molecular weight protein-tyrosine phosphatase A | 2 |
| 20462762 | 10.1016/j.bmc.2010.04.051 | THP-1 | 2 |
| 20462762 | 10.1016/j.bmc.2010.04.051 | Phosphotyrosine-protein phosphatase PTPB | 1 |
| 20462762 | 10.1016/j.bmc.2010.04.051 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine