Compound Detail
CHEMBL5206579
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Basic Information
| ChEMBL ID | CHEMBL5206579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHVMTHKJUAOZJP-DKKDMOBXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.14
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.27 | 6.27 | 541.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 10 | IC50 | = | 5.3 | nM | 8.28 | Inhibition of human ADAM10 using (biotin-SPLAQAVRSSSRTP(3H)S-NH2) as a substrate... | 34624823 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 541.0 | nM | 6.27 | Inhibition of human ADAM17 | 34624823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34624823 | 10.1016/j.ejmech.2021.113877 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 34624823 | 10.1016/j.ejmech.2021.113877 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine