Compound Detail
CHEMBL577938
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Basic Information
| ChEMBL ID | CHEMBL577938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLQVQKSDEBBOSA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
3.94
ALogP
4
HBA
1
HBD
86.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.48 | 4.48 | 33450.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Beta-lactamase AmpC by quantitative high throughput screening | 19908840 |
| Cruzipain | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Trypanosoma cruzi cruzain by Flexstation microplate spectrofluorim... | 19908840 |
| Estrogen receptor | IC50 | = | 33450.51 | nM | 4.48 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
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