Compound Detail
CHEMBL1378339
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Basic Information
| ChEMBL ID | CHEMBL1378339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXHORYJGDBVDII-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.54
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.4 | 5.4 | 3997.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.0033 | 4650.0 | 3 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.24 | 4.24 | 57589.0 | 1 |
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 | = | 3997.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | IC50 | = | 4650.0 | nM | 5.33 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Unchecked | IC50 | = | 10970.0 | nM | 4.96 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 18950.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 57589.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP1: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine