Compound Detail
CHEMBL5428248
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CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]3C[C@H](CC(C)C)CCO[C@H]32)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O.O=CO
Basic Information
| ChEMBL ID | CHEMBL5428248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKLRXRWAHPRROR-ZNBDCXLHSA-N |
| Parent Compound | CHEMBL5499733 |
| Active Moiety | CHEMBL5499733 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.1
MW (Da)
0.70
ALogP
8
HBA
5
HBD
120.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.47
Ki 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial 70S ribosome CHEMBL2363135 | Kd | 7.47 | 7.47 | 34.0 | 1 |
| Bacterial 70S ribosome CHEMBL2363135 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial 70S ribosome | Kd | = | 34.0 | nM | 7.47 | Binding affinity to Escherichia coli ribosomes assessed as apparent dissociation... | 37295615 |
| Bacterial 70S ribosome | Ki | = | 41.0 | nM | 7.39 | Binding affinity to Escherichia coli ribosomes assessed as apparent inhibition c... | 37295615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37295615 | 10.1016/j.bmcl.2023.129364 | Bacterial 70S ribosome | 3 |
Data from ChEMBL 36 via Core Engine