Compound Detail
CHEMBL1233772
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1233772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQDWEVONJRXVDB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
0.84
ALogP
5
HBA
3
HBD
106.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Neutrophil collagenase CHEMBL4588 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Macrophage metalloelastase CHEMBL4393 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Interstitial collagenase CHEMBL332 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| Matrilysin CHEMBL4073 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | Ki | = | 2.7 | nM | 8.57 | Inhibition of MMP13 by fluorimetric assay | 20965620 |
| Neutrophil collagenase | Ki | = | 4.6 | nM | 8.34 | Inhibition of MMP8 by fluorimetric assay | 20965620 |
| Macrophage metalloelastase | Ki | = | 31.0 | nM | 7.51 | Inhibition of MMP12 by fluorimetric assay | 20965620 |
| Interstitial collagenase | Ki | = | 67.0 | nM | 7.17 | Inhibition of MMP1 by fluorimetric assay | 20965620 |
| Matrilysin | Ki | = | 1600.0 | nM | 5.8 | Inhibition of MMP7 by fluorimetric assay | 20965620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20965620 | 10.1016/j.ejmech.2010.09.057 | Interstitial collagenase | 1 |
| 20965620 | 10.1016/j.ejmech.2010.09.057 | Matrilysin | 1 |
| 20965620 | 10.1016/j.ejmech.2010.09.057 | Neutrophil collagenase | 1 |
| 20965620 | 10.1016/j.ejmech.2010.09.057 | Macrophage metalloelastase | 1 |
| 20965620 | 10.1016/j.ejmech.2010.09.057 | Collagenase 3 | 1 |
| 20965620 | 10.1016/j.ejmech.2010.09.057 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine