Compound Detail
CHEMBL1334407
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Basic Information
| ChEMBL ID | CHEMBL1334407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWDJPGYVOIXMPL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.18
ALogP
6
HBA
1
HBD
60.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.17 | 5.17 | 6758.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.42 | 4.42 | 37949.0 | 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 | = | 6758.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 37949.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP1: fluorescence-based bioche... | - |
Data from ChEMBL 36 via Core Engine