Compound Detail
CHEMBL306106
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Basic Information
| ChEMBL ID | CHEMBL306106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEYUEBGPWLFYSB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.3
MW (Da)
3.32
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL3946 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mannose-6-phosphate isomerase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI) | 9873532 |
| Mannose-6-phosphate isomerase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of human purified phosphomannose isomerase | 21539312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873532 | 10.1016/s0960-894x(98)00417-x | Mannose-6-phosphate isomerase | 1 |
| 21539312 | 10.1021/jm101401a | Mannose-6-phosphate isomerase | 1 |
Data from ChEMBL 36 via Core Engine