Compound Detail
CHEMBL3322971
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
Basic Information
| ChEMBL ID | CHEMBL3322971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGDSSFHFTNABSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.33
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of phosphomannose isomerase (unknown origin) | 25124115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Phosphoethanolamine/phosphocholine phosphatase | 1 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Phosphomannomutase 2 | 1 |
| 25124115 | 10.1016/j.bmcl.2014.07.013 | Mannose-6-phosphate isomerase | 1 |
Data from ChEMBL 36 via Core Engine