Compound Detail
CHEMBL3417748
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Basic Information
| ChEMBL ID | CHEMBL3417748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJBBGWSFUXQTAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
3.36
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Stromelysin-2 CHEMBL4270 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluoresce... | 25686153 |
| Stromelysin-2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluoresc... | 25686153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25686153 | 10.1021/jm501940y | Blood | 1 |
| 25686153 | 10.1021/jm501940y | Stromelysin-2 | 1 |
| 25686153 | 10.1021/jm501940y | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine