Compound Detail
CHEMBL389898
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 | CHEMBL389898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTKNWYDCBWYORK-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.39
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil collagenase CHEMBL4588 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil collagenase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of MMP8 | 17088065 |
| Stromelysin-1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of MMP3 | 17088065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17088065 | 10.1016/j.bmc.2006.10.047 | Interstitial collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | 72 kDa type IV collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Stromelysin-1 | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Matrilysin | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Neutrophil collagenase | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Matrix metalloproteinase-9 | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Collagenase 3 | 1 |
| 17088065 | 10.1016/j.bmc.2006.10.047 | Matrix metalloproteinase-14 | 1 |
Data from ChEMBL 36 via Core Engine