Compound Detail
CHEMBL5281827
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
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)ccc3c(C(C)(C)C)cccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL5281827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOTKISDMFBTXGP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.66
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.4 | 6.4 | 401.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of MMP-9 (unknown origin) | 32224379 |
| Collagenase 3 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of MMP-13 (unknown origin) | 32224379 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 401.0 | nM | 6.4 | Inhibition of TACE (unknown origin) | 32224379 |
| Interstitial collagenase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of MMP-1 (unknown origin) | 32224379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32224379 | 10.1016/j.ejmech.2020.112260 | Matrix metalloproteinase-9 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Interstitial collagenase | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Collagenase 3 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine