Compound Detail
CHEMBL1597485
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Basic Information
| ChEMBL ID | CHEMBL1597485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWPMNPWPULRKL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
0.50
ALogP
4
HBA
2
HBD
79.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.88 | 5.345 | 1320.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.18 | 5.18 | 6540.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 4.56 | 4.56 | 27800.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 1320.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 6540.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 15400.0 | nM | 4.81 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 27400.0 | nM | 4.56 | PUBCHEM_BIOASSAY: SAR analysis of chemical inhibitors of HePTP using a Fluoresce... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 27800.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29688708 | 10.1021/acs.jmedchem.8b00315 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine