Compound Detail
CHEMBL321006
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
CCCCCC[C@@H](N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL321006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYGUFLUIGDJMDE-VJGNERBWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.7
MW (Da)
5.17
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | Ki | 6.28 | 6.28 | 530.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | Ki | = | 530.0 | nM | 6.28 | Inhibition of MMP-3. | - |
| 72 kDa type IV collagenase | Ki | = | 2300.0 | nM | 5.64 | Inhibition of MMP-2. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00024-8 | Stromelysin-1 | 1 |
| - | 10.1016/0960-894X(96)00024-8 | Interstitial collagenase | 1 |
| - | 10.1016/0960-894X(96)00024-8 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine