Compound Detail
CHEMBL4859417
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Basic Information
| ChEMBL ID | CHEMBL4859417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYQZHRISWNRPRD-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
0.71
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.16 | 6.0267 | 694.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.8 | 5.8 | 1570.0 | 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 | = | 694.0 | nM | 6.16 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| Unchecked | IC50 | = | 730.0 | nM | 6.14 | 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 | = | 826.0 | nM | 6.08 | Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent sub... | 33719441 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 1440.0 | nM | 5.84 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| 72 kDa type IV collagenase | IC50 | = | 1570.0 | nM | 5.8 | In Vitro Assay: MMP2: Protocol 1: The basis for the assay is the cleavage of the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33719441 | 10.1021/acs.jmedchem.0c02008 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
Data from ChEMBL 36 via Core Engine