Compound Detail
CHEMBL269834
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 | CHEMBL269834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPPXQSIUHCIOD-XXBNENTESA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
2.66
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | Ki | 8.52 | 8.52 | 3.0 | 3 |
| Stromelysin-1 CHEMBL283 | Ki | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 3.0 | nM | 8.52 | Inhibition of human recombinant TACE | 18247549 |
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 3.0 | nM | 8.52 | Inhibition of TACE catalytic domain by FRET assay | 19054672 |
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 3.0 | nM | 8.52 | Inhibition of human recombinant TACE | 18835710 |
| Stromelysin-1 | Ki | = | 58000.0 | nM | 4.24 | Inhibition of MMP3 | 18835710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247549 | 10.1021/jm070376o | Unchecked | 7 |
| 18247549 | 10.1021/jm070376o | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 19054672 | 10.1016/j.bmcl.2008.11.034 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Blood | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Unchecked | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Matrix metalloproteinase-14 | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Matrilysin | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Stromelysin-1 | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | 72 kDa type IV collagenase | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Interstitial collagenase | 1 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine