Compound Detail
CHEMBL4474592
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CSCC[C@H](NC(=O)C(CCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(N)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4474592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPJWCXJZJXEZNV-QYYSEODQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1072.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | Ki | = | 41.0 | nM | 7.39 | Inhibition of protease activity of Clostridium botulinum BoNT/A using N(K)-acety... | 27543389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27543389 | 10.1016/j.bmc.2016.07.031 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine