Compound Detail
CHEMBL226156
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Basic Information
| ChEMBL ID | CHEMBL226156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSRVYXQOXYGCLR-UYRXBGFRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.0
MW (Da)
5.26
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 2270.0 | nM | 5.64 | Inhibition of PTP1B (unknown origin) using pNPP as substrate | 30910462 |
| Enoyl-acyl-carrier protein reductase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22192483 | 10.1016/j.ejmech.2011.12.011 | Staphylococcus aureus | 6 |
| 22192483 | 10.1016/j.ejmech.2011.12.011 | Escherichia coli | 2 |
| 30910462 | 10.1016/j.bmcl.2019.03.023 | Tyrosine-protein phosphatase non-receptor type 1 | 2 |
| 17477517 | 10.1021/jm061257w | Enoyl-acyl-carrier protein reductase | 1 |
Data from ChEMBL 36 via Core Engine