Compound Detail
CHEMBL281196
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
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1cccc(O)c1)[C@@H](C(=O)NO)C1CNC1
Basic Information
| ChEMBL ID | CHEMBL281196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJSHWQQLHGDLFX-CGXNFDGLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
0.67
ALogP
6
HBA
6
HBD
130.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of bovine aggrecanase | 12657268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657268 | 10.1016/s0960-894x(03)00124-0 | Unchecked | 1 |
| 12657268 | 10.1016/s0960-894x(03)00124-0 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine