Compound Detail
CHEMBL1271266
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Basic Information
| ChEMBL ID | CHEMBL1271266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEAYLNJEDDOYNQ-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.54
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.47 | 6.47 | 335.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.31 | 6.31 | 485.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.505 | 2729.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.19 | 5.19 | 6490.0 | 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 | = | 335.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 485.0 | nM | 6.31 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Unchecked | IC50 | = | 2729.0 | nM | 5.56 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 3590.0 | nM | 5.45 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 6490.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20666457 | 10.1021/jm100416n | Protein arginine N-methyltransferase 1 | 5 |
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine