Compound Detail
CHEMBL3771195
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Basic Information
| ChEMBL ID | CHEMBL3771195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNGOACYVBRPKCR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
6.41
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 19800.0 | nM | 4.7 | Inhibition of recombinant uPA (unknown origin) using Biophen CS-61(44) as substr... | - |
| Tissue-type plasminogen activator | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of recombinant tPA (unknown origin) using Biophen CS-05(88) as substr... | - |
| Prothrombin | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of human plasma thrombin using Biophen CS-21(66) as substrate preincu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00288E | Kallikrein-8 | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-1 | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-2 | 1 |
| - | 10.1039/C5MD00288E | Kallikrein-4 | 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 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine