Compound Detail
CHEMBL150924
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Basic Information
| ChEMBL ID | CHEMBL150924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWEKTFINADFAEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
239.2
MW (Da)
3.19
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 4.63 | 4.63 | 23428.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 23428.56 | nM | 4.63 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26358009 | 10.1021/acs.jmedchem.5b00930 | No relevant target | 6 |
| 22727641 | 10.1016/j.bmcl.2012.05.124 | Plasmodium falciparum | 2 |
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Proline--tRNA ligase, cytoplasmic | 1 |
| 11229766 | 10.1016/s0960-894x(00)00697-1 | Bifunctional glutamate/proline--tRNA ligase | 1 |
| 22727641 | 10.1016/j.bmcl.2012.05.124 | HepG2 | 1 |
| 22727641 | 10.1016/j.bmcl.2012.05.124 | Raji | 1 |
| 22727641 | 10.1016/j.bmcl.2012.05.124 | BJ | 1 |
| 22727641 | 10.1016/j.bmcl.2012.05.124 | HEK293 | 1 |
| 35917835 | 10.1016/j.bmcl.2022.128915 | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | 1 |
Data from ChEMBL 36 via Core Engine