Compound Detail
CHEMBL2337129
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CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2337129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJFONKSERLWIGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
4.74
ALogP
5
HBA
3
HBD
125.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of MMP13 (unknown origin) | 23287054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23287054 | 10.1016/j.ejmech.2012.10.016 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine