Compound Detail
CHEMBL253979
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CCCCOc1ccc(S(=O)(=O)N2CC(N3C(=O)NC(C)(C)C3=O)C[C@@H]2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL253979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGTWMCXPSZIGIN-FQNRMIAFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
0.83
ALogP
7
HBA
3
HBD
145.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrilysin CHEMBL4073 | IC50 | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrilysin | IC50 | = | 446.68 | nM | 6.35 | 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