Compound Detail
CHEMBL53694
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 | CHEMBL53694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIDLMAINNMJNSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
-0.23
ALogP
5
HBA
3
HBD
139.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 6.01 | 6.01 | 975.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 180.0 | nM | 6.75 | Inhibitory activity against human thrombin (using Chromozym TH as the substrate) | 10794696 |
| Trypsin | Ki | = | 975.0 | nM | 6.01 | Inhibitory activity against human trypsin (using Chromozym TH as the substrate) | 10794696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794696 | 10.1021/jm9903693 | Prothrombin | 1 |
| 10794696 | 10.1021/jm9903693 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine