Compound Detail
CHEMBL5291484
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CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CSSC[C@@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC3=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL5291484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPMIMCBMCVNTMB-OUERTNKHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
3116.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell membrane CHEMBL2364031 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell membrane | EC50 | = | 160.0 | nM | 6.8 | Induction of bacterial inner membrane permeabilization in Escherichia coli asses... | 36525646 |
| U-937 | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against human U-937 cells assessed as inhibition of cell growth inc... | 36525646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36525646 | 10.1021/acs.jnatprod.2c00674 | U-937 | 2 |
| 36525646 | 10.1021/acs.jnatprod.2c00674 | Escherichia coli | 1 |
| 36525646 | 10.1021/acs.jnatprod.2c00674 | Pseudomonas aeruginosa | 1 |
| 36525646 | 10.1021/acs.jnatprod.2c00674 | Staphylococcus aureus | 1 |
| 36525646 | 10.1021/acs.jnatprod.2c00674 | Candida albicans | 1 |
| 36525646 | 10.1021/acs.jnatprod.2c00674 | Cell membrane | 1 |
Data from ChEMBL 36 via Core Engine