Compound Detail
CHEMBL269753
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CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL269753 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MSHDHKBQEREOIZ-IMKBPQOGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1492.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botrytis cinerea CHEMBL612399 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Clavibacter michiganensis CHEMBL613849 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
| Plectosphaerella cucumerina CHEMBL613856 | EC50 | 5.56 | 5.56 | 2770.0 | 1 |
| Xanthomonas campestris CHEMBL612276 | EC50 | 4.53 | 4.53 | 29330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botrytis cinerea | EC50 | = | 200.0 | nM | 6.7 | Antifungal activity against Botrytis cinerea | 16420028 |
| Clavibacter michiganensis | EC50 | = | 510.0 | nM | 6.29 | Antibacterial activity against Clavibacter michiganensis | 16420028 |
| Plectosphaerella cucumerina | EC50 | = | 2770.0 | nM | 5.56 | Antifungal activity against Plectosphaerella cucumerina | 16420028 |
| Xanthomonas campestris | EC50 | = | 29330.0 | nM | 4.53 | Antibacterial activity against Xanthomonas campestris | 16420028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420028 | 10.1021/jm050882i | Plectosphaerella cucumerina | 1 |
| 16420028 | 10.1021/jm050882i | Botrytis cinerea | 1 |
| 16420028 | 10.1021/jm050882i | Xanthomonas campestris | 1 |
| 16420028 | 10.1021/jm050882i | Sinorhizobium meliloti | 1 |
| 16420028 | 10.1021/jm050882i | Clavibacter michiganensis | 1 |
Data from ChEMBL 36 via Core Engine