Compound Detail
CHEMBL45494
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL45494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXQZGDBIKKLQRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
7.57
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against beta-lactamase | 11931626 |
| Chymotrypsin-C | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against chymotrypsinogen | 11931626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931626 | 10.1021/jm010533y | Beta-lactamase | 3 |
| 11931626 | 10.1021/jm010533y | Chymotrypsin-C | 1 |
| 11931626 | 10.1021/jm010533y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine