Compound Detail
CHEMBL1652555
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Basic Information
| ChEMBL ID | CHEMBL1652555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBBADXPVZMYLKN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
0.51
ALogP
3
HBA
2
HBD
71.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase plasminogen activator surface receptor CHEMBL4883 | Ki | 7.68 | 7.68 | 20.8 | 1 |
| A549 CHEMBL392 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase plasminogen activator surface receptor | Ki | = | 20.8 | nM | 7.68 | Binding affinity to uPAR | 23123017 |
| A549 | IC50 | = | 9100.0 | nM | 5.04 | 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 |
| 21145626 | 10.1016/j.ejmech.2010.11.022 | Unchecked | 4 |
| 21145626 | 10.1016/j.ejmech.2010.11.022 | Raji | 1 |
| 23123017 | 10.1016/j.bmc.2012.10.010 | Urokinase plasminogen activator surface receptor | 1 |
| 23123017 | 10.1016/j.bmc.2012.10.010 | A549 | 1 |
Data from ChEMBL 36 via Core Engine