Compound Detail
CHEMBL442431
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CCCCOc1ccc(S(=O)(=O)N2CC(N3C(=O)CN(C)C3=O)C[C@@H]2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL442431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWPPWHMOPIWZMY-FQNRMIAFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
0.40
ALogP
7
HBA
2
HBD
136.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrilysin CHEMBL4073 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrilysin | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of MMP7 | 17275314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17275314 | 10.1016/j.bmc.2007.01.011 | Matrilysin | 1 |
Data from ChEMBL 36 via Core Engine