Compound Detail
CHEMBL3739939
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Basic Information
| ChEMBL ID | CHEMBL3739939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPUFTGUNIFZYDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.48
ALogP
4
HBA
4
HBD
91.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 4.19 | 4.19 | 63920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 63920.0 | nM | 4.19 | Inhibition of human uPA using pyro-Glu-Gly-Arg-pNA as substrate assessed as para... | 26575094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26575094 | 10.1021/acs.jmedchem.5b01171 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine