Compound Detail
CHEMBL204543
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Basic Information
| ChEMBL ID | CHEMBL204543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXPPAOGUKPJVDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
2.25
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 5.6 | 5.6 | 2520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 2520.0 | nM | 5.6 | Inhibition of LYP (unknown origin) using DiFMUP substrate incubated for 2 hrs | 24997687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24997687 | 10.1016/j.bmcl.2014.06.016 | Tyrosine-protein phosphatase non-receptor type 22 | 2 |
| 16539380 | 10.1021/jm0512488 | HFL1 | 1 |
| 16539380 | 10.1021/jm0512488 | T-24 | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
| 21189019 | 10.1021/jm101266s | Lethal factor | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 24997687 | 10.1016/j.bmcl.2014.06.016 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 24997687 | 10.1016/j.bmcl.2014.06.016 | Receptor-type tyrosine-protein phosphatase C | 1 |
| 24997687 | 10.1016/j.bmcl.2014.06.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine