Compound Detail
CHEMBL41928
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Basic Information
| ChEMBL ID | CHEMBL41928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBEJDLYIFZAISG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.29
ALogP
4
HBA
3
HBD
94.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | IC50 | 4.1 | 4.1 | 80000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | IC50 | = | 80000.0 | nM | 4.1 | In vitro inhibition of Matrix metalloprotease-3 | 11412979 |
| Stromelysin-1 | IC50 | = | 80000.0 | nM | 4.1 | Inhibitory activity against MMP3 | 16242329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16242329 | 10.1016/j.bmcl.2005.09.057 | Stromelysin-1 | 2 |
| 11412979 | 10.1016/s0960-894x(01)00031-2 | 72 kDa type IV collagenase | 1 |
| 11412979 | 10.1016/s0960-894x(01)00031-2 | Stromelysin-1 | 1 |
| 11412979 | 10.1016/s0960-894x(01)00031-2 | Interstitial collagenase | 1 |
| 16242329 | 10.1016/j.bmcl.2005.09.057 | 72 kDa type IV collagenase | 1 |
| 16242329 | 10.1016/j.bmcl.2005.09.057 | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine