Compound Detail
CHEMBL3287964
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Basic Information
| ChEMBL ID | CHEMBL3287964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVKQOLFPJVBXKA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.52
ALogP
5
HBA
2
HBD
105.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 42900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 42900.0 | nM | 4.37 | Inhibition of human recombinant FBPase-mediated fructose-6-phosphate formation b... | 24946215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24946215 | 10.1016/j.ejmech.2014.06.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine