Compound Detail
CHEMBL1455825
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Basic Information
| ChEMBL ID | CHEMBL1455825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHTQGDZOUMZVRK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1621062 |
| Active Moiety | CHEMBL1621062 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.56
ALogP
10
HBA
2
HBD
128.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.44 | 5.44 | 3632.0 | 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 | = | 3632.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine