Compound Detail
CHEMBL4096462
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@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)NO)Cc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1
Basic Information
| ChEMBL ID | CHEMBL4096462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBMQORMYXJZHKU-OIBXWCBGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
658.1
MW (Da)
1.90
ALogP
9
HBA
7
HBD
251.2
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-2 CHEMBL4270 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-2 | Ki | = | 1.4 | nM | 8.85 | Inhibition of human MMP10 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg... | 27996256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27996256 | 10.1021/acs.jmedchem.6b01420 | Stromelysin-2 | 1 |
| 27996256 | 10.1021/acs.jmedchem.6b01420 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine