Compound Detail
CHEMBL5407107
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@H](F)[C@H]1F
Basic Information
| ChEMBL ID | CHEMBL5407107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYNCMBAHTSMEHF-UZTWBRENSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
-0.05
ALogP
10
HBA
4
HBD
174.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.4 | nM | 8.85 | Binding affinity to Mycobacterium tuberculosis salicylate synthase using chorism... | 37859726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859726 | 10.1039/d3md00201b | Mycobacterium tuberculosis | 1 |
| 37859726 | 10.1039/d3md00201b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine