Compound Detail
CHEMBL2337131
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Basic Information
| ChEMBL ID | CHEMBL2337131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJAHTKZXCRUIAR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
493.4
MW (Da)
4.58
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL4393 | IC50 | 9.03 | 9.03 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | IC50 | = | 0.93 | nM | 9.03 | Inhibition of MMP12 (unknown origin) | 23287054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23287054 | 10.1016/j.ejmech.2012.10.016 | Macrophage metalloelastase | 1 |
| 23287054 | 10.1016/j.ejmech.2012.10.016 | Interstitial collagenase | 1 |
| 23287054 | 10.1016/j.ejmech.2012.10.016 | Matrix metalloproteinase-9 | 1 |
| 23287054 | 10.1016/j.ejmech.2012.10.016 | Stromelysin-1 | 1 |
| 23287054 | 10.1016/j.ejmech.2012.10.016 | Collagenase 3 | 1 |
| 23287054 | 10.1016/j.ejmech.2012.10.016 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine