Compound Detail
CHEMBL1630103
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 | CHEMBL1630103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOUYMPANMMVPFE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.26
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.98 | 7.84 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 1.04 | nM | 8.98 | Inhibition of human TACE by fluorescent spectroscopy | 21078557 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human TNF-alpha by fluorescent spectroscopy | 21078557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21078557 | 10.1016/j.bmc.2010.10.006 | Disintegrin and metalloproteinase domain-containing protein 17 | 2 |
| 21078557 | 10.1016/j.bmc.2010.10.006 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine