Compound Detail
CHEMBL1548812
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Basic Information
| ChEMBL ID | CHEMBL1548812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJWOSXHQKDKDNC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.1
MW (Da)
4.54
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.44 | 5.365 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 3600.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 5100.0 | nM | 5.29 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
Data from ChEMBL 36 via Core Engine