Compound Detail
CHEMBL4561509
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 | CHEMBL4561509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUQGFODZSCBSLP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.67
ALogP
4
HBA
4
HBD
114.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2095204 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | IC50 | = | 1.56 | nM | 8.81 | Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate pr... | 31103899 |
| Prothrombin | IC50 | = | 530.0 | nM | 6.28 | Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate p... | 31103899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31103899 | 10.1016/j.ejmech.2019.05.025 | Genome polyprotein | 3 |
| 31103899 | 10.1016/j.ejmech.2019.05.025 | Prothrombin | 2 |
| 31103899 | 10.1016/j.ejmech.2019.05.025 | Trypsin | 2 |
Data from ChEMBL 36 via Core Engine