Compound Detail
CHEMBL290947
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 | CHEMBL290947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KATMCIGDRCUVHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
1.45
ALogP
5
HBA
4
HBD
133.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 95.0 | nM | 7.02 | Binding affinity against human thrombin | - |
| Serine protease 1 | Ki | = | 940.0 | nM | 6.03 | Binding affinity against human trypsin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00257-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine