Compound Detail
CHEMBL431535
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 | CHEMBL431535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRHPFUIMZJTKOM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
2.27
ALogP
7
HBA
3
HBD
136.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 16.0 | nM | 7.8 | Compound was evaluated to inhibit the thrombin enzyme | 9873422 |
| Serine protease 1 | Ki | = | 1700.0 | nM | 5.77 | Compound was evaluated to inhibit the trypsin enzyme | 9873422 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873422 | 10.1016/s0960-894x(98)00297-2 | Prothrombin | 1 |
| 9873422 | 10.1016/s0960-894x(98)00297-2 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine