Compound Detail
CHEMBL1766896
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Basic Information
| ChEMBL ID | CHEMBL1766896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUSYXXOLFARXLL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.09
ALogP
5
HBA
2
HBD
91.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 6.68 | 6.68 | 210.0 | 2 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.02 | 6.02 | 950.0 | 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 | = | 210.0 | nM | 6.68 | Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence pla... | 21417219 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of recombinant human ADAMTS-4 | 36250680 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 950.0 | nM | 6.02 | Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence pla... | 21417219 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 950.0 | nM | 6.02 | Inhibition of recombinant human ADAMTS-5 | 36250680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417219 | 10.1021/jm101609j | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 21417219 | 10.1021/jm101609j | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
| 36250680 | 10.1021/acs.jmedchem.2c01177 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
| 36250680 | 10.1021/acs.jmedchem.2c01177 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
Data from ChEMBL 36 via Core Engine