Compound Detail
CHEMBL577758
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Basic Information
| ChEMBL ID | CHEMBL577758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDTUFJHIGJTNSD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
3.36
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.41 | 5.41 | 3874.4 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.14 | 5.14 | 7189.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 3874.41 | nM | 5.41 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor | IC50 | = | 7189.32 | nM | 5.14 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of Beta-lactamase AmpC by quantitative high throughput screening | 19908840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908840 | 10.1021/jm901070c | Cruzipain | 2 |
| 19908840 | 10.1021/jm901070c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine