Compound Detail
CHEMBL355730
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 | CHEMBL355730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDTMQDZZOREKQA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
2.40
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 8.8 | 8.8 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 1.6 | nM | 8.8 | Inhibition of Thrombin | 12617893 |
| Prothrombin | Ki | = | 1.6 | nM | 8.8 | Inhibition of human thrombin assessed as release of p-nitroanilide from chromoge... | 29407959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Prothrombin | 1 |
| 12617893 | 10.1016/s0960-894x(03)00017-9 | Serine protease 1 | 1 |
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Trypsin | 1 |
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine