Compound Detail
CHEMBL219374
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL219374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGZAZINEUDVOON-RWCQAFHGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1070.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botrytis cinerea CHEMBL612399 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Clavibacter michiganensis CHEMBL613849 | EC50 | 5.29 | 5.29 | 5130.0 | 1 |
| Plectosphaerella cucumerina CHEMBL613856 | EC50 | 4.8 | 4.8 | 15670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botrytis cinerea | EC50 | = | 4100.0 | nM | 5.39 | Antifungal activity against Botrytis cinerea | 16420028 |
| Clavibacter michiganensis | EC50 | = | 5130.0 | nM | 5.29 | Antibacterial activity against Clavibacter michiganensis | 16420028 |
| Plectosphaerella cucumerina | EC50 | = | 15670.0 | nM | 4.8 | Antifungal activity against Plectosphaerella cucumerina | 16420028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420028 | 10.1021/jm050882i | Clavibacter michiganensis | 1 |
| 16420028 | 10.1021/jm050882i | Sinorhizobium meliloti | 1 |
| 16420028 | 10.1021/jm050882i | Xanthomonas campestris | 1 |
| 16420028 | 10.1021/jm050882i | Botrytis cinerea | 1 |
| 16420028 | 10.1021/jm050882i | Plectosphaerella cucumerina | 1 |
Data from ChEMBL 36 via Core Engine