Compound Detail
CHEMBL3356593
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
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL3356593 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KJLKBVQGEXTILS-CQJMVLFOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
671.9
MW (Da)
0.97
ALogP
9
HBA
8
HBD
234.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease hepsin CHEMBL2079849 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Hepatocyte growth factor activator CHEMBL3351190 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease hepsin | Ki | = | 2.1 | nM | 8.68 | Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate... | 25408834 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 15.0 | nM | 7.82 | Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluo... | 25408834 |
| Hepatocyte growth factor activator | Ki | = | 80.0 | nM | 7.1 | Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate b... | 25408834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25408834 | 10.1021/ml500254r | Suppressor of tumorigenicity 14 protein | 1 |
| 25408834 | 10.1021/ml500254r | Hepatocyte growth factor activator | 1 |
| 25408834 | 10.1021/ml500254r | Serine protease hepsin | 1 |
Data from ChEMBL 36 via Core Engine