Compound Detail
CHEMBL4171081
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NCCCC[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](O)CN)[C@@H](O)CN
Basic Information
| ChEMBL ID | CHEMBL4171081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YESIYWUOAJMUPD-UIQGXCOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
783.9
MW (Da)
-7.08
ALogP
15
HBA
14
HBD
402.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 9600.0 | nM | 5.02 | 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 | Escherichia coli | 2 |
| 30086230 | 10.1021/acs.jmedchem.8b00790 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine