Compound Detail
CHEMBL550687
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Basic Information
| ChEMBL ID | CHEMBL550687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFOQGBUQTOGYKI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.12
ALogP
5
HBA
3
HBD
131.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Kd 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor activator CHEMBL3351190 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Genome polyprotein CHEMBL5419 | Kd | 4.8 | 4.8 | 16000.0 | 1 |
| Genome polyprotein CHEMBL5419 | IC50 | 4.47 | 4.47 | 34200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor activator | IC50 | = | 820.0 | nM | 6.09 | Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed ... | 25882520 |
| Genome polyprotein | Kd | = | 16000.0 | nM | 4.8 | Inhibition of WNV NS2B-NS3 protease by tryptophan fluorescence assay | 19572550 |
| Genome polyprotein | IC50 | = | 34200.0 | nM | 4.47 | Inhibition of WNV NS2B-NS3 protease by enzymatic assay | 19572550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19572550 | 10.1021/jm900448m | Genome polyprotein | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 25882520 | 10.1016/j.bmc.2015.03.072 | Hepatocyte growth factor activator | 1 |
Data from ChEMBL 36 via Core Engine