Compound Detail
CHEMBL2347847
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Basic Information
| ChEMBL ID | CHEMBL2347847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFYUPKXGFNQNTK-KPKJPENVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.60
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 13 CHEMBL2346492 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.8 | 4.8 | 16000.0 | 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 | = | 1200.0 | nM | 5.92 | Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET me... | 23453070 |
| A disintegrin and metalloproteinase with thrombospondin motifs 13 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of ADAMTS-13 (unknown origin) | 23453070 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of TACE (unknown origin) | 23453070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23453070 | 10.1016/j.bmcl.2013.01.121 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 2 |
| 23453070 | 10.1016/j.bmcl.2013.01.121 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 23453070 | 10.1016/j.bmcl.2013.01.121 | Matrix metalloproteinase-14 | 1 |
| 23453070 | 10.1016/j.bmcl.2013.01.121 | Stromelysin-1 | 1 |
| 23453070 | 10.1016/j.bmcl.2013.01.121 | 72 kDa type IV collagenase | 1 |
| 23453070 | 10.1016/j.bmcl.2013.01.121 | A disintegrin and metalloproteinase with thrombospondin motifs 13 | 1 |
| 23453070 | 10.1016/j.bmcl.2013.01.121 | A disintegrin and metalloproteinase with thrombospondin motifs 4 | 1 |
Data from ChEMBL 36 via Core Engine