Compound Detail
CHEMBL1461225
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Basic Information
| ChEMBL ID | CHEMBL1461225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUTLVGYJXCIIQR-SFQUDFHCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
4.66
ALogP
7
HBA
1
HBD
79.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.8 | 5.105 | 1580.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.85 | 4.8 | 14157.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1580.0 | nM | 5.8 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| HEK293 | IC50 | = | 14157.0 | nM | 4.85 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 17770.5 | nM | 4.75 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| SUMO-activating enzyme | IC50 | = | 38630.0 | nM | 4.41 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine