Compound Detail
CHEMBL221537
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL221537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONHHOEXQJXSXKC-KKUMJFAQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
0.88
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.25 | 6.25 | 560.0 | 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 | = | 480.0 | nM | 6.32 | Inhibition of ADAM10 | 17256836 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 560.0 | nM | 6.25 | Inhibition of Her2 sheddase activity in BT474 cell line | 17256836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256836 | 10.1021/jm061344o | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 17256836 | 10.1021/jm061344o | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
Data from ChEMBL 36 via Core Engine