Compound Detail
CHEMBL3770794
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Basic Information
| ChEMBL ID | CHEMBL3770794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSTAEACZUNFQMP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.89
ALogP
4
HBA
3
HBD
97.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Kallikrein-4 CHEMBL4446 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Kallikrein-8 CHEMBL4812 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Kallikrein-2 CHEMBL2442 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 7.9 | nM | 8.1 | Inhibition of recombinant uPA (unknown origin) using Biophen CS-61(44) as substr... | - |
| Kallikrein-4 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human recombinant KLK4 expressed in Escherichia coli using Bachem ... | - |
| Kallikrein-8 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human recombinant KLK8 expressed in Escherichia coli using Bachem ... | - |
| Kallikrein-2 | IC50 | = | 3020.0 | nM | 5.52 | Inhibition of human recombinant KLK2 expressed in Escherichia coli using Bachem ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00288E | Kallikrein-2 | 2 |
| - | 10.1039/C5MD00288E | Kallikrein-4 | 2 |
| - | 10.1039/C5MD00288E | Kallikrein-8 | 2 |
| - | 10.1039/C5MD00288E | Urokinase-type plasminogen activator | 2 |
| - | 10.1039/C5MD00288E | Kallikrein-1 | 1 |
| - | 10.1039/C5MD00288E | Tissue-type plasminogen activator | 1 |
| - | 10.1039/C5MD00288E | Prothrombin | 1 |
| - | 10.1039/C5MD00288E | Plasminogen | 1 |
| - | 10.1039/C5MD00288E | Coagulation factor X | 1 |
| - | 10.1039/C5MD00288E | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine