Compound Detail
CHEMBL4174689
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C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N/C(=C\CCNC(=N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4174689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQUGHNAKLLLLKI-YKEDTOGJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1021.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial 70S ribosome CHEMBL2363135 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial 70S ribosome | IC50 | = | 500.0 | nM | 6.3 | Inhibition of ribosome-mediated translation in Cell-free Escherichia coli protei... | 32279921 |
| Escherichia coli | IC50 | = | 550.0 | nM | 6.26 | Inhibition of bacterial protein synthesis in cell-free Escherichia coli incubate... | 30086230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30086230 | 10.1021/acs.jmedchem.8b00790 | Klebsiella pneumoniae | 11 |
| 30086230 | 10.1021/acs.jmedchem.8b00790 | Escherichia coli | 5 |
| 32279921 | 10.1016/j.bmc.2020.115469 | Escherichia coli | 3 |
| 30086230 | 10.1021/acs.jmedchem.8b00790 | Unchecked | 2 |
| 32279921 | 10.1016/j.bmc.2020.115469 | Klebsiella pneumoniae | 2 |
| 30086230 | 10.1021/acs.jmedchem.8b00790 | Enterobacter cloacae | 1 |
| 30086230 | 10.1021/acs.jmedchem.8b00790 | HepG2 | 1 |
| 30086230 | 10.1021/acs.jmedchem.8b00790 | Erythrocyte | 1 |
| 32279921 | 10.1016/j.bmc.2020.115469 | Bacterial 70S ribosome | 1 |
Data from ChEMBL 36 via Core Engine