Compound Detail
CHEMBL393113
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Basic Information
| ChEMBL ID | CHEMBL393113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRSAHIMLNSKPGX-ZROIWOOFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
5.52
ALogP
6
HBA
1
HBD
46.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 CHEMBL2318 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of ADAMTS5 by FRET assay | 17210252 |
| A disintegrin and metalloproteinase with thrombospondin motifs 4 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of ADAMTS4 by FRET assay | 17210252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17210252 | 10.1016/j.bmcl.2006.12.020 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
| 17210252 | 10.1016/j.bmcl.2006.12.020 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
Data from ChEMBL 36 via Core Engine