Compound Detail
CHEMBL2089154
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C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL2089154 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JRNGHBUUFQDBPT-ONIAQPFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
646.8
MW (Da)
-1.93
ALogP
10
HBA
11
HBD
310.2
PSA (Ų)
0.03
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 4.6 | nM | 8.34 | Tight binding inhibition of human matriptase expressed in Drosophila melanogaste... | 24900505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900505 | 10.1021/ml3000534 | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine