Compound Detail
CHEMBL1935303
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CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3noc(-c4ccccc4)n3)cc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1935303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEMDGKYEBOPVCD-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
4.69
ALogP
7
HBA
2
HBD
135.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL4393 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | IC50 | = | 4.0 | nM | 8.4 | 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