Compound Detail
CHEMBL202932
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 | CHEMBL202932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZVYQWLRCHLAGK-QGZVFWFLSA-N |
9
Targets
12
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.80
ALogP
4
HBA
3
HBD
112.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.85
Ki 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil collagenase CHEMBL4588 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Stromelysin-1 CHEMBL283 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil collagenase | Ki | = | 0.6 | nM | 9.22 | Inhibitory activity against MMP8 | 16451058 |
| Unchecked | Ki | = | 0.6 | nM | 9.22 | Inhibition of MMP | 17228863 |
| Neutrophil collagenase | IC50 | = | 1.4 | nM | 8.85 | Inhibition of MMP8 | 17088065 |
| 72 kDa type IV collagenase | IC50 | = | 1.5 | nM | 8.82 | Inhibition of human recombinant MMP2 expressed in mouse myeloma cells | 17088065 |
| Collagenase 3 | IC50 | = | 2.6 | nM | 8.59 | Inhibition of MMP13 | 17088065 |
| 72 kDa type IV collagenase | Ki | = | 5.0 | nM | 8.3 | Inhibitory activity against MMP2 | 16451058 |
| Matrix metalloproteinase-9 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant MMP9 expressed in mouse myeloma cells | 17088065 |
| Stromelysin-1 | Ki | = | 40.0 | nM | 7.4 | Inhibitory activity against MMP3 | 16451058 |
| Stromelysin-1 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of MMP3 | 17088065 |
| Matrix metalloproteinase-14 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of MMP14 | 17088065 |
| Interstitial collagenase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of MMP1 | 17088065 |
| Matrilysin | IC50 | = | 460.0 | nM | 6.34 | Inhibition of MMP7 | 17088065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451058 | 10.1021/jm050787+ | 72 kDa type IV collagenase | 1 |
| 16451058 | 10.1021/jm050787+ | Stromelysin-1 | 1 |
| 16451058 | 10.1021/jm050787+ | Neutrophil collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Interstitial collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | 72 kDa type IV collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Stromelysin-1 | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Matrilysin | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Neutrophil collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Matrix metalloproteinase-9 | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Collagenase 3 | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Matrix metalloproteinase-14 | 1 |
| 17228863 | 10.1021/jm0608457 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine