Compound Detail
CHEMBL463183
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Cc1cccc(S(=O)(=O)NC(=O)NCc2cccc(CNC(=O)NS(=O)(=O)c3cccc(C)c3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL463183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMOSELCPPORRCC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
2.68
ALogP
6
HBA
4
HBD
150.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 8.22 | 8.07 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,... | 18650089 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human liver fructose-1,6-bisphosphatase | 18650089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18650089 | 10.1016/j.bmcl.2008.06.103 | Fructose-1,6-bisphosphatase 1 | 2 |
Data from ChEMBL 36 via Core Engine