Compound Detail
CHEMBL3354675
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
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)c1nc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL3354675 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GYOUUFBTNKLMDK-BIHRQFPBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
738.9
MW (Da)
-1.00
ALogP
11
HBA
12
HBD
330.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 9.74 | 9.74 | 0.2 | 2 |
| Transmembrane protease serine 6 CHEMBL1795139 | Ki | 9.13 | 9.13 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 0.18 | nM | 9.74 | Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrat... | 25387268 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 0.18 | nM | 9.74 | Inhibition of matriptase (unknown origin) | 30571119 |
| Transmembrane protease serine 6 | Ki | = | 0.74 | nM | 9.13 | Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substr... | 25387268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25387268 | 10.1021/jm5015633 | Suppressor of tumorigenicity 14 protein | 1 |
| 25387268 | 10.1021/jm5015633 | Transmembrane protease serine 6 | 1 |
| 25387268 | 10.1021/jm5015633 | Unchecked | 1 |
| 30571119 | 10.1021/acs.jmedchem.8b01536 | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine