Compound Detail
CHEMBL220259
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Basic Information
| ChEMBL ID | CHEMBL220259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYARBIJYVGJZLB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
1.37
ALogP
4
HBA
3
HBD
100.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.46 | 5.46 | 3430.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 4.48 | 4.48 | 33400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 1040.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 3430.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 33400.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17323938 | 10.1021/jm061213n | RmtA | 1 |
| 17323938 | 10.1021/jm061213n | Protein arginine N-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine