Compound Detail
CHEMBL265476
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COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCCCNC(=O)Oc2ccccc2)C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL265476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QONXLCBLIJQPOY-RUZDIDTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
3.72
ALogP
7
HBA
3
HBD
134.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL2594 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | IC50 | = | 67.0 | nM | 7.17 | Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]ela... | 9871508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871508 | 10.1016/s0960-894x(98)00142-5 | Macrophage metalloelastase | 1 |
Data from ChEMBL 36 via Core Engine