Compound Detail
CHEMBL5904713
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CS(=O)(=O)c1ccc(C2(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)NC(=O)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5904713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGUZSRSJSPPSGU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
1.91
ALogP
6
HBA
2
HBD
115.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.46 | 7.39 | 35.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.89 | 5.89 | 1280.0 | 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 | = | 35.0 | nM | 7.46 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 48.0 | nM | 7.32 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 880.0 | nM | 6.06 | In Vitro Assay: TACE:The basis for the assay is the cleavage of the substrate 5F... | - |
| Collagenase 3 | IC50 | = | 1280.0 | nM | 5.89 | In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate ... | - |
Data from ChEMBL 36 via Core Engine