Compound Detail
CHEMBL1410244
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Basic Information
| ChEMBL ID | CHEMBL1410244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIRQGNZQWCVFAG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
268.8
MW (Da)
2.65
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 6.5 | 6.5 | 318.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.47 | 6.47 | 341.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.3 | 5.3 | 5060.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.05 | 5.05 | 8910.0 | 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 | = | 318.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 341.0 | nM | 6.47 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 5060.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 8910.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine