Compound Detail
CHEMBL467257
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
Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL467257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZLSYACKYTYUGI-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
4.04
ALogP
5
HBA
2
HBD
113.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 9.15 | 8.145 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of MMP13 | 19422229 |
| Collagenase 3 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of MMP13 in presence of 1% bovine serum albumin | 19422229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19422229 | 10.1021/jm801394m | Collagenase 3 | 2 |
Data from ChEMBL 36 via Core Engine