Compound Detail
CHEMBL5568242
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5568242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCOUWPIQTLKRNK-YMKGMORASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1274.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus epidermidis CHEMBL353 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Bacillus subtilis CHEMBL359 | IC50 | 4.42 | 4.42 | 38500.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 4.38 | 4.38 | 41500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus epidermidis | IC50 | = | 10200.0 | nM | 4.99 | Antibacterial activity against Staphylococcus epidermidis assessed as reduction ... | 38771638 |
| Bacillus subtilis | IC50 | = | 38500.0 | nM | 4.42 | Antibacterial activity against Bacillus subtilis assessed as reduction in bacter... | 38771638 |
| Escherichia coli | IC50 | = | 41500.0 | nM | 4.38 | Antibacterial activity against Escherichia coli assessed as reduction in bacteri... | 38771638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Escherichia coli | 3 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Bacillus subtilis | 3 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | RAW264.7 | 3 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Staphylococcus epidermidis | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Unchecked | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine