Compound Detail
CHEMBL1332050
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Basic Information
| ChEMBL ID | CHEMBL1332050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLMUDDQWRFLCTF-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
350.2
MW (Da)
2.74
ALogP
3
HBA
3
HBD
91.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
EC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.25 | 5.25 | 5604.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.21 | 5.11 | 6120.0 | 2 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 4.94 | 4.865 | 11570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 5604.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 6120.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 9680.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| SUMO-activating enzyme | IC50 | = | 11570.0 | nM | 4.94 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| SUMO-activating enzyme | IC50 | = | 16360.0 | nM | 4.79 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine