Compound Detail
CHEMBL124855
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 | CHEMBL124855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMLWOOMWRCRLCH-QURGRASLSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
5.07
ALogP
6
HBA
3
HBD
119.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thrombopoietin receptor CHEMBL1864 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thrombopoietin receptor | EC50 | = | 200.0 | nM | 6.7 | Effective concentration for thrombopoietin luciferase activity was determined in... | 11606138 |
| Chymotrypsin-C | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory activity against chymotrypsinogen | 11931626 |
| Beta-lactamase | IC50 | = | 50000.0 | nM | 4.3 | Inhibitory activity against beta-lactamase | 11931626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11931626 | 10.1021/jm010533y | Beta-lactamase | 5 |
| 11606138 | 10.1021/jm010283l | Thrombopoietin receptor | 2 |
| 11931626 | 10.1021/jm010533y | Chymotrypsin-C | 1 |
| 11931626 | 10.1021/jm010533y | Beta-galactosidase | 1 |
| 11931626 | 10.1021/jm010533y | Chymotrypsinogen A | 1 |
Data from ChEMBL 36 via Core Engine