Compound Detail
CHEMBL1077579
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C[C@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1077579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHXGZLJBINZPQZ-NQZBTDCJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.0
MW (Da)
4.60
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.92 | 6.92 | 120.0 | 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 | = | 120.0 | nM | 6.92 | Inhibition of ADAMTS5 | 19767207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19767207 | 10.1016/j.bmcl.2009.08.093 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
Data from ChEMBL 36 via Core Engine