Compound Detail
CHEMBL2111573
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Basic Information
| ChEMBL ID | CHEMBL2111573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHERVMJHCHNTKO-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
1.42
ALogP
4
HBA
5
HBD
123.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.71 | 7.71 | 19.6 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 19.6 | nM | 7.71 | Inhibition of human matrix metalloprotease-2 | 14611841 |
| Stromelysin-1 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of human matrix metalloprotease-3 | 14611841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14611841 | 10.1016/s0960-894x(03)00590-0 | 72 kDa type IV collagenase | 1 |
| 14611841 | 10.1016/s0960-894x(03)00590-0 | Stromelysin-1 | 1 |
| 14611841 | 10.1016/s0960-894x(03)00590-0 | Matrix metalloproteinase (2 and 3) | 1 |
Data from ChEMBL 36 via Core Engine