Compound Detail
CHEMBL483163
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Nc1ncnc2c1nc(NCCP(=O)(O)O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL483163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGEQRTOHKPTVID-IOSLPCCCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.3
MW (Da)
-2.39
ALogP
11
HBA
7
HBD
209.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotome... | 19348494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19348494 | 10.1021/jm900078f | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine