Compound Detail
CHEMBL63786
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Basic Information
| ChEMBL ID | CHEMBL63786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUVKJPOCMOXSSQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.2
MW (Da)
5.29
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 7500.0 | nM | 5.12 | Concentration required to inhibit the human liver recombinant fructose-1,6-bisph... | 11140724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140724 | 10.1016/s0960-894x(00)00586-2 | Fructose-1,6-bisphosphatase 1 | 1 |
| 8632415 | 10.1021/jm950692f | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine