Compound Detail
CHEMBL200435
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Basic Information
| ChEMBL ID | CHEMBL200435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVMUNGGWXRKCEU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.63
ALogP
4
HBA
2
HBD
85.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 58000.0 | nM | 4.24 | Inhibitory activity against MMP2 | 16242329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16242329 | 10.1016/j.bmcl.2005.09.057 | 72 kDa type IV collagenase | 1 |
| 16242329 | 10.1016/j.bmcl.2005.09.057 | Stromelysin-1 | 1 |
| 16242329 | 10.1016/j.bmcl.2005.09.057 | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine