Compound Detail
CHEMBL597691
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Basic Information
| ChEMBL ID | CHEMBL597691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWTLEPFGQNCFDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
3.29
ALogP
5
HBA
2
HBD
92.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human liver recombinant FBPase | 20045638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20045638 | 10.1016/j.bmcl.2009.12.056 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine