Compound Detail
CHEMBL1206126
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1
Basic Information
| ChEMBL ID | CHEMBL1206126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMONOAYAUIIKMS-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1031.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.15
Kd 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 CHEMBL5465289 | Kd | 7.58 | 7.58 | 26.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.15 | 6.925 | 71.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 | Kd | = | 26.5 | nM | 7.58 | Binding affinity to FLAG-tagged human TIMP3 expressed in HEK293 cells assessed a... | 37517101 |
| Unchecked | IC50 | = | 71.0 | nM | 7.15 | Inhibition of human Norovirus RNA-dependent RNA polymerase assessed as decrease ... | 32294613 |
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | Inhibition of mouse Norovirus RNA-dependent RNA polymerase assessed as decrease ... | 32294613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32294613 | 10.1016/j.ejmech.2020.112198 | Unchecked | 2 |
| 37517101 | 10.1016/j.bmc.2023.117424 | Metalloproteinase inhibitor 3 | 1 |
Data from ChEMBL 36 via Core Engine