Compound Detail
CHEMBL461220
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
NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO
Basic Information
| ChEMBL ID | CHEMBL461220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVRPHGZPZLMEPV-PIKZIKFNSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
4.16
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | Ki | 9.85 | 9.85 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 0.14 | nM | 9.85 | Inhibition of TACE catalytic domain by FRET assay | 19054672 |
| Disintegrin and metalloproteinase domain-containing protein 17 | Ki | = | 0.14 | nM | 9.85 | Inhibition of human recombinant TACE | 18835710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 18835710 | 10.1016/j.bmcl.2008.09.045 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine