Compound Detail
CHEMBL455409
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Basic Information
| ChEMBL ID | CHEMBL455409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCTLPROJUJRGOK-FOZCRLHDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
1.81
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of MMP2 | 19095454 |
| Matrix metalloproteinase-9 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of MMP9 | 19095454 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of TACE | 19095454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19095454 | 10.1016/j.bmc.2008.11.067 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 19095454 | 10.1016/j.bmc.2008.11.067 | 72 kDa type IV collagenase | 1 |
| 19095454 | 10.1016/j.bmc.2008.11.067 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine