Compound Detail
CHEMBL62997
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Basic Information
| ChEMBL ID | CHEMBL62997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWOIQRKXOIWYNJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.1
MW (Da)
2.59
ALogP
2
HBA
3
HBD
96.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against Fructose-1,6-bisphosphatase (F16BPase) in human live... | 12781194 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of human recombinant FBPase using fructose-1,6-biphosphate as substra... | 22960695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781194 | 10.1016/s0960-894x(03)00310-x | Unchecked | 1 |
| 22960695 | 10.1016/j.ejmech.2012.08.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine