Compound Detail
CHEMBL2348079
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Basic Information
| ChEMBL ID | CHEMBL2348079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROJFLVCFGXZEJQ-AWNIVKPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.97
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 5.16 | 5.16 | 7000.0 | 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 | = | 7000.0 | nM | 5.16 | Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET me... | 23453070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23453070 | 10.1016/j.bmcl.2013.01.121 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 1 |
Data from ChEMBL 36 via Core Engine