Compound Detail
CHEMBL63676
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Basic Information
| ChEMBL ID | CHEMBL63676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTVIFZQDIJSFNH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.8
MW (Da)
4.96
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 530.0 | nM | 6.28 | Concentration required to inhibit the human liver recombinant fructose-1,6-bisph... | 11140724 |
| Unchecked | IC50 | = | 530.0 | nM | 6.28 | Inhibition of human recombinant FBPase using fructose-1,6-biphosphate as substra... | 22960695 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 3100.0 | nM | 5.51 | Compound was evaluated for its concentration required to inhibit the porcine kid... | 11140724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140724 | 10.1016/s0960-894x(00)00586-2 | Fructose-1,6-bisphosphatase 1 | 3 |
| 11140724 | 10.1016/s0960-894x(00)00586-2 | Oryctolagus cuniculus | 1 |
| 22960695 | 10.1016/j.ejmech.2012.08.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine