Compound Detail
CHEMBL4127883
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Basic Information
| ChEMBL ID | CHEMBL4127883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDIUNDCTDYBFOQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.4
MW (Da)
4.25
ALogP
4
HBA
0
HBD
12.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of SARS coronavirus GST-tagged Mpro expressed in Escherichia coli BL2... | 28624700 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 6640.0 | nM | 5.18 | Inhibition of wild-type full-length human liver FBPase expressed in Escherichia ... | 32711108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28624700 | 10.1016/j.ejmech.2017.05.045 | Unchecked | 1 |
| 32711108 | 10.1016/j.ejmech.2020.112500 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine