Compound Detail
CHEMBL5421682
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O=C(Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5421682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNPQLQQGQYADEZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1269.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.77
Kd 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 CHEMBL5465289 | Kd | 9.07 | 9.07 | 0.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 | Kd | = | 0.85 | nM | 9.07 | Binding affinity to FLAG-tagged human TIMP3 expressed in HEK293 cells assessed a... | 37517101 |
| Unchecked | EC50 | = | 17000.0 | nM | 4.77 | Induction of TIMP3 protein level in human HTB-94 cells incubated for 36 hrs by s... | 37517101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37517101 | 10.1016/j.bmc.2023.117424 | Metalloproteinase inhibitor 3 | 1 |
| 37517101 | 10.1016/j.bmc.2023.117424 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine