Compound Detail
CHEMBL156406
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Basic Information
| ChEMBL ID | CHEMBL156406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXQJDVBMMRCKQG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
0.57
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL4393 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | IC50 | = | 290.0 | nM | 6.54 | Inhibition of MMP12 | 18494455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3989820 | 10.1021/jm50001a012 | Mus musculus | 6 |
| 28817930 | 10.1021/acs.jmedchem.7b00606 | Carbonic anhydrase 2 | 5 |
| 18494455 | 10.1021/jm8000289 | Macrophage metalloelastase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 3701788 | 10.1021/jm00155a030 | Rattus norvegicus | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 31744675 | 10.1016/j.bmcl.2019.126815 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine