Compound Detail
CHEMBL1935296
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CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(C(C)(C)C)n3)cc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1935296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZQAAPJCTUNRMX-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
4.32
ALogP
7
HBA
2
HBD
135.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL4393 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human MMP-12 | 22153340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153340 | 10.1016/j.bmcl.2011.11.046 | Macrophage metalloelastase | 1 |
| 22153340 | 10.1016/j.bmcl.2011.11.046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine