Compound Detail
CHEMBL1370165
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Basic Information
| ChEMBL ID | CHEMBL1370165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGOAMMKJVQZGLF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
5.41
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.45 | 6.45 | 353.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.35 | 6.35 | 443.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 353.0 | nM | 6.45 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 443.0 | nM | 6.35 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 2260.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31420268 | 10.1016/j.bmcl.2019.08.010 | Uridine-cytidine kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine