Compound Detail
CHEMBL500374
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COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@@H]1O[C@@]2(C)[C@H](O)[C@H](N(C)C)[C@@H]1N
Basic Information
| ChEMBL ID | CHEMBL500374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHUXFKKMEODLKJ-QLVZYKFTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
584.6
MW (Da)
-0.10
ALogP
13
HBA
6
HBD
209.3
PSA (Ų)
0.22
QED
3
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 42000.0 | nM | 4.38 | Inhibition of Escherichia coli DdlB | 19053785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053785 | 10.1021/jm800726b | Unchecked | 2 |
| 19053785 | 10.1021/jm800726b | Escherichia coli | 2 |
| 19053785 | 10.1021/jm800726b | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine