Compound Detail
CHEMBL4528256
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CCCC1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4528256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVIVMHWAIUDLAY-UNNZLRDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1395.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myeloblastin CHEMBL3900 | Ki | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myeloblastin | Ki | = | 9.8 | nM | 8.01 | Inhibition of purified human proteinase 3 using MeOSuc-AAPV-MCA as substrate by ... | 31413811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31413811 | 10.1021/acsmedchemlett.9b00253 | Myeloblastin | 1 |
Data from ChEMBL 36 via Core Engine