Compound Detail
CHEMBL3780277
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 | CHEMBL3780277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFCBYZFSKKFRQH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
419.6
MW (Da)
3.51
ALogP
3
HBA
2
HBD
76.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2095204 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 4.87 | 4.87 | 13500.0 | 1 |
| Serine protease hepsin CHEMBL2079849 | Ki | 4.82 | 4.82 | 15100.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 4.31 | 4.31 | 49400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | Ki | = | 4800.0 | nM | 5.32 | Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-... | 26985294 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 13500.0 | nM | 4.87 | Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GK... | 26985294 |
| Serine protease hepsin | Ki | = | 15100.0 | nM | 4.82 | Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-N... | 26985294 |
| Coagulation factor X | Ki | = | 49400.0 | nM | 4.31 | Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcy... | 26985294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26985294 | 10.1021/acsmedchemlett.5b00357 | Serine protease hepsin | 1 |
| 26985294 | 10.1021/acsmedchemlett.5b00357 | Suppressor of tumorigenicity 14 protein | 1 |
| 26985294 | 10.1021/acsmedchemlett.5b00357 | Hepatocyte growth factor activator | 1 |
| 26985294 | 10.1021/acsmedchemlett.5b00357 | Trypsin | 1 |
| 26985294 | 10.1021/acsmedchemlett.5b00357 | Prothrombin | 1 |
| 26985294 | 10.1021/acsmedchemlett.5b00357 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine