Compound Detail
CHEMBL1547860
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Basic Information
| ChEMBL ID | CHEMBL1547860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFVJOKJRSFPXKS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
2.80
ALogP
9
HBA
1
HBD
100.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.63
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.63 | 5.63 | 2363.0 | 1 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.28 | 5.28 | 5206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2363.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 5206.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine