Compound Detail
CHEMBL5275791
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
CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL5275791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMVAUDUHORHIDN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.4
MW (Da)
5.70
ALogP
8
HBA
1
HBD
97.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 47 CHEMBL2157851 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 47 | EC50 | = | 450.0 | nM | 6.35 | Inhibition of human USP47 using Ub-EKL as substrate by SDS-PAGE assay | 32092586 |
| Ubiquitin carboxyl-terminal hydrolase 7 | EC50 | = | 500.0 | nM | 6.3 | Inhibition of human USP7 using Ub-EKL as substrate by SDS-PAGE assay | 32092586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 47 | 1 |
Data from ChEMBL 36 via Core Engine