Compound Detail
CHEMBL3769636
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Basic Information
| ChEMBL ID | CHEMBL3769636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPYKNZPTAOGMPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
6.67
ALogP
6
HBA
2
HBD
94.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-1 CHEMBL2319 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-1 | IC50 | = | 86.0 | nM | 7.07 | Inhibition of human recombinant KLK1 expressed in Escherichia coli using Bachem ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00288E | Kallikrein-1 | 2 |
| - | 10.1039/C5MD00288E | Kallikrein-2 | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-4 | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-8 | 1 |
| - | 10.1039/C5MD00288E | Urokinase-type plasminogen activator | 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