Compound Detail
CHEMBL1615557
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O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL1615557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXAIVMYRMNONEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1329.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 CHEMBL5465289 | Kd | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metalloproteinase inhibitor 3 | Kd | = | 4.66 | nM | 8.33 | Binding affinity to FLAG-tagged human TIMP3 expressed in HEK293 cells assessed a... | 37517101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37517101 | 10.1016/j.bmc.2023.117424 | Metalloproteinase inhibitor 3 | 1 |
Data from ChEMBL 36 via Core Engine