Compound Detail
CHEMBL2159504
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Basic Information
| ChEMBL ID | CHEMBL2159504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAUNMCCIUSOUMN-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
456.3
MW (Da)
5.77
ALogP
7
HBA
1
HBD
94.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
EC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 6.37 | 6.37 | 430.0 | 2 |
| Ubiquitin carboxyl-terminal hydrolase 47 CHEMBL2157851 | EC50 | 6.06 | 6.06 | 870.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 47 CHEMBL2157851 | IC50 | 6.06 | 6.06 | 870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | EC50 | = | 430.0 | nM | 6.37 | Inhibition of human USP7 using Ub-EKL as substrate by SDS-PAGE assay | 32092586 |
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay | 24900381 |
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of USP7 (unknown origin) | 32092586 |
| Ubiquitin carboxyl-terminal hydrolase 47 | EC50 | = | 870.0 | nM | 6.06 | Inhibition of human USP47 using Ub-EKL as substrate by SDS-PAGE assay | 32092586 |
| Ubiquitin carboxyl-terminal hydrolase 47 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of USP47 by Ub-CHOP reporter assay | 24900381 |
| Ubiquitin carboxyl-terminal hydrolase 47 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of USP47 (unknown origin) | 32092586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 47 | 2 |
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 7 | 2 |
| 24900381 | 10.1021/ml200276j | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
| 24900381 | 10.1021/ml200276j | Ubiquitin carboxyl-terminal hydrolase 47 | 1 |
| 24900381 | 10.1021/ml200276j | No relevant target | 1 |
| 24900381 | 10.1021/ml200276j | Plasma | 1 |
| 24900381 | 10.1021/ml200276j | Caspase-3 | 1 |
Data from ChEMBL 36 via Core Engine