Compound Detail
CHEMBL1322542
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Basic Information
| ChEMBL ID | CHEMBL1322542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDHAPQOXKYQZDW-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.36
ALogP
3
HBA
3
HBD
84.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 7.6 | 6.75 | 25.0 | 2 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.84 | 6.03 | 143.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 25.0 | nM | 7.6 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 143.0 | nM | 6.84 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 704.0 | nM | 6.15 | PUBCHEM_BIOASSAY: SAR VHR1 absorbance Assay for In Vitro dose response studies. ... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 1270.0 | nM | 5.9 | PUBCHEM_BIOASSAY: SAR analysis of chemical inhibitors of HePTP using a Fluoresce... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 2150.0 | nM | 5.67 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 3490.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
Data from ChEMBL 36 via Core Engine