Compound Detail
CHEMBL3358152
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Basic Information
| ChEMBL ID | CHEMBL3358152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPHYVVDMOPSOAK-CQSZACIVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
321.7
MW (Da)
1.41
ALogP
4
HBA
3
HBD
100.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.82 | 6.22 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 4 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG p... | 25415648 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG p... | 25415648 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG p... | 25415648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25415648 | 10.1021/jm501522n | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 2 |
| 25415648 | 10.1021/jm501522n | Plasma | 2 |
| 25415648 | 10.1021/jm501522n | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 25415648 | 10.1021/jm501522n | 72 kDa type IV collagenase | 1 |
| 25415648 | 10.1021/jm501522n | Stromelysin-1 | 1 |
| 25415648 | 10.1021/jm501522n | Collagenase 3 | 1 |
| 25415648 | 10.1021/jm501522n | Matrix metalloproteinase-14 | 1 |
| 25415648 | 10.1021/jm501522n | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine