Compound Detail
CHEMBL5593273
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CN([C@@H](C(=O)NO)C1CCN(C(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5593273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZJSIDSSGZFOCC-RUZDIDTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
4.42
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 CHEMBL5724789 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 | Ki | = | 50.0 | nM | 7.3 | Inhibition of recombinant human full-length ADAMTS7 truncated before the C-termi... | 39149096 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | Ki | = | 90.0 | nM | 7.05 | Inhibition of recombinant human full-length ADAMTS5 using FAM-Thr-Glu-Ser-Glu-Se... | 39149096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39149096 | 10.1039/d4md00149d | A disintegrin and metalloproteinase with thrombospondin motifs 7 | 1 |
| 39149096 | 10.1039/d4md00149d | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
Data from ChEMBL 36 via Core Engine