Compound Detail
CHEMBL2206682
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 | CHEMBL2206682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAGGHIYIVJXLNL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.62
ALogP
4
HBA
2
HBD
65.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Ki 1 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase plasminogen activator surface receptor CHEMBL4883 | Ki | 8.88 | 8.88 | 1.3 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase plasminogen activator surface receptor | Ki | = | 1.33 | nM | 8.88 | Binding affinity to uPAR | 23123017 |
| MCF7 | IC50 | = | 1390.0 | nM | 5.86 | Cytotoxicity against human MCF7 cells after 48 hrs by sulforhodamine B assay | 23123017 |
| A549 | IC50 | = | 13200.0 | nM | 4.88 | Cytotoxicity against human A549 cells after 72 hrs by alamar blue assay | 23123017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23123017 | 10.1016/j.bmc.2012.10.010 | Raji | 5 |
| 23123017 | 10.1016/j.bmc.2012.10.010 | Urokinase plasminogen activator surface receptor | 1 |
| 23123017 | 10.1016/j.bmc.2012.10.010 | MCF7 | 1 |
| 23123017 | 10.1016/j.bmc.2012.10.010 | A549 | 1 |
Data from ChEMBL 36 via Core Engine