Compound Detail
CHEMBL143418
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL143418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWCMVQFLPIOYNL-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
1.75
ALogP
8
HBA
3
HBD
127.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.38
IC50 2 meas. best 10.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 10.38 | 10.38 | 0.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 10.38 | 10.38 | 0.0 | 3 |
| Serine protease 1 CHEMBL209 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Trypsin CHEMBL2095204 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 0.042 | nM | 10.38 | Inhibition of thrombin (unknown origin) | - |
| Prothrombin | Ki | = | 0.042 | nM | 10.38 | Inhibitory constant against thrombin (IIa) | 12570369 |
| Prothrombin | Ki | = | 0.042 | nM | 10.38 | Inhibition of Thrombin (unknown origin) | 26200936 |
| Prothrombin | Ki | = | 0.042 | nM | 10.38 | Inhibition of thrombin (unknown origin) | 29407959 |
| Trypsin | IC50 | = | 800.0 | nM | 6.1 | Inhibition of trypsin (unknown origin) | - |
| Serine protease 1 | Ki | = | 800.0 | nM | 6.1 | Inhibitory constant against human trypsin | 12570369 |
| Trypsin | Ki | = | 800.0 | nM | 6.1 | Inhibition of trypsin (unknown origin) | 29407959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570369 | 10.1021/jm020311f | Prothrombin | 1 |
| 12570369 | 10.1021/jm020311f | Serine protease 1 | 1 |
| 12570369 | 10.1021/jm020311f | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C2MD20317K | Prothrombin | 1 |
| - | 10.1039/C2MD20317K | Trypsin | 1 |
| 26200936 | 10.1021/acs.jmedchem.5b00258 | Prothrombin | 1 |
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Plasma | 1 |
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Prothrombin | 1 |
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine