Compound Detail
CHEMBL1632638
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Basic Information
| ChEMBL ID | CHEMBL1632638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDUBALDTEGAJSW-JOYOIKCWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
-2.09
ALogP
8
HBA
5
HBD
156.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Macrophage metalloelastase CHEMBL4393 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Interstitial collagenase CHEMBL332 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Matrilysin CHEMBL4073 | Ki | 6.46 | 6.46 | 344.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | Ki | = | 1.7 | nM | 8.77 | Inhibition of MMP13 by fluorimetric assay | 20965620 |
| Macrophage metalloelastase | Ki | = | 7.0 | nM | 8.15 | Inhibition of MMP12 by fluorimetric assay | 20965620 |
| Neutrophil collagenase | Ki | = | 8.0 | nM | 8.1 | Inhibition of MMP8 by fluorimetric assay | 20965620 |
| Interstitial collagenase | Ki | = | 32.0 | nM | 7.5 | Inhibition of MMP1 by fluorimetric assay | 20965620 |
| Matrilysin | Ki | = | 344.0 | nM | 6.46 | 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