Compound Detail
CHEMBL28721
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Basic Information
| ChEMBL ID | CHEMBL28721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACTRVOBWPAIOHC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
-0.25
ALogP
4
HBA
4
HBD
74.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.29
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.29 | 6.29 | 518.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.49 | 5.49 | 3220.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 4.72 | 4.72 | 19000.0 | 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 | = | 518.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 3220.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 19000.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143375 | 10.1021/jm00353a018 | Mus musculus | 6 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 18205296 | 10.1021/jm070866g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine