Compound Detail
CHEMBL1460126
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Basic Information
| ChEMBL ID | CHEMBL1460126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEDOWVBPFLCOBB-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.33
ALogP
4
HBA
2
HBD
85.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.26
EC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.26 | 7.26 | 55.2 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.43 | 5.43 | 3740.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 5.18 | 5.18 | 6540.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.63 | 4.63 | 23481.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 55.18 | nM | 7.26 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Sentrin-specific protease 7 | IC50 | = | 3740.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Nucleic Acid | EC50 | = | 6540.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Sentrin-specific protease 8 | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 17200.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Estrogen receptor | IC50 | = | 23481.56 | nM | 4.63 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
Data from ChEMBL 36 via Core Engine