Compound Detail
CHEMBL1985932
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Basic Information
| ChEMBL ID | CHEMBL1985932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPQLSLJHTBQUJZ-NUGSKGIGSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
3.98
ALogP
7
HBA
2
HBD
109.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.36 | 5.36 | 4420.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.35 | 5.35 | 4477.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.01 | 5.01 | 9720.0 | 1 |
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 4.83 | 4.83 | 14685.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.19 | 4.19 | 64300.0 | 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 | = | 4420.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 4477.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 4790.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 9720.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
| Eukaryotic translation initiation factor 4H | IC50 | = | 14685.0 | nM | 4.83 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 64300.0 | nM | 4.19 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
Data from ChEMBL 36 via Core Engine