Compound Detail
CHEMBL5428840
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5428840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJFHSDODEVTVNV-XWXWGSFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
-1.58
ALogP
12
HBA
5
HBD
198.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trehalose monomycolate exporter MmpL3 CHEMBL5465372 | Ki | 6.56 | 6.56 | 277.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trehalose monomycolate exporter MmpL3 | Ki | = | 277.1 | nM | 6.56 | Binding affinity to Mycobacterium smegmatis MmpL3 by surface plasmon resonance a... | 37859726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859726 | 10.1039/d3md00201b | Mycolicibacterium smegmatis | 1 |
| 37859726 | 10.1039/d3md00201b | Trehalose monomycolate exporter MmpL3 | 1 |
Data from ChEMBL 36 via Core Engine