Compound Detail
CHEMBL5558688
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C=C(N)NCCC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](N)CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5558688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FANNWAKAKDEZMH-QREBHYJTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
1287.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus epidermidis CHEMBL353 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Micrococcus luteus CHEMBL614421 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Bacillus subtilis CHEMBL359 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus epidermidis | IC50 | = | 3700.0 | nM | 5.43 | Antibacterial activity against Staphylococcus epidermidis assessed as reduction ... | 38771638 |
| Escherichia coli | IC50 | = | 8000.0 | nM | 5.1 | Antibacterial activity against Escherichia coli assessed as reduction in bacteri... | 38771638 |
| Micrococcus luteus | IC50 | = | 8400.0 | nM | 5.08 | Antibacterial activity against Micrococcus luteus assessed as reduction in bacte... | 38771638 |
| Bacillus subtilis | IC50 | = | 10500.0 | nM | 4.98 | Antibacterial activity against Bacillus subtilis assessed as reduction in bacter... | 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 | Trypsin | 3 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Staphylococcus epidermidis | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Micrococcus luteus | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Unchecked | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Cell membrane | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | ADMET | 2 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | Erythrocyte | 1 |
| 38771638 | 10.1021/acs.jmedchem.4c00005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine