Compound Detail
CHEMBL52205
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 | CHEMBL52205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICDINSHVIKUFIQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.80
ALogP
5
HBA
4
HBD
125.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.16 | 6.16 | 690.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 12.0 | nM | 7.92 | Compound was tested for inhibition activity against Coagulation factor X | 10346927 |
| Serine protease 1 | Ki | = | 690.0 | nM | 6.16 | Compound was tested for inhibition activity against bovine trypsin. | 10346927 |
| Prothrombin | Ki | = | 1900.0 | nM | 5.72 | Compound was tested for inhibition activity against human thrombin (FIIa) | 10346927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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