Compound Detail
CHEMBL147094
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
CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL147094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFWOFWRWKXGIMI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
2.46
ALogP
6
HBA
1
HBD
134.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase ColA CHEMBL2802 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase ColA | Ki | = | 2100.0 | nM | 5.68 | Inhibition of Clostridium histolyticum collagenase using a linear regression pro... | 10743957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743957 | 10.1016/s0960-894x(00)00026-3 | Collagenase ColA | 1 |
Data from ChEMBL 36 via Core Engine