Compound Detail
CHEMBL170063
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 | CHEMBL170063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CELLYTXIAPGBBG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.55
ALogP
3
HBA
2
HBD
75.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 24.0 | nM | 7.62 | Inhibition of Coagulation factor II | 10230612 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Inhibition of factor Xa | 10230612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Prothrombin | 1 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Serine protease 1 | 1 |
| 10230612 | 10.1016/s0960-894x(99)00113-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine