Compound Detail
CHEMBL49786
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 | CHEMBL49786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRUCQVIIUGSDPQ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
4.54
ALogP
5
HBA
4
HBD
131.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.21 | 6.21 | 620.0 | 2 |
| Prothrombin CHEMBL204 | Ki | 5.85 | 5.85 | 1400.0 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 5.57 | 5.57 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 620.0 | nM | 6.21 | Inhibitory potency was measured against human coagulation factor X | 9733480 |
| Coagulation factor X | Ki | = | 620.0 | nM | 6.21 | Compound was tested for inhibition activity against Coagulation factor X | 10346927 |
| Prothrombin | Ki | = | 1400.0 | nM | 5.85 | Inhibitory potency was measured against human thrombin | 9733480 |
| Prothrombin | Ki | = | 1400.0 | nM | 5.85 | Compound was tested for inhibition activity against human thrombin (FIIa) | 10346927 |
| Serine protease 1 | Ki | = | 2700.0 | nM | 5.57 | Inhibitory potency was measured against bovine trypsin. | 9733480 |
| Serine protease 1 | Ki | = | 2700.0 | nM | 5.57 | Compound was tested for inhibition activity against bovine trypsin. | 10346927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733480 | 10.1021/jm980280h | Coagulation factor X | 1 |
| 9733480 | 10.1021/jm980280h | Prothrombin | 1 |
| 9733480 | 10.1021/jm980280h | Serine protease 1 | 1 |
| 10346927 | 10.1021/jm980667k | Coagulation factor X | 1 |
| 10346927 | 10.1021/jm980667k | Prothrombin | 1 |
| 10346927 | 10.1021/jm980667k | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine