Compound Detail
CHEMBL4640729
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Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5CC5C4=O)sc23)c1C[C@@H]1CNC[C@@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL4640729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLPZIAGJKHDMOQ-SYJVCXSYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
4.35
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
IC50 1 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 0.39 | nM | 9.41 | Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rho... | 32302140 |
| Ubiquitin carboxyl-terminal hydrolase 7 | EC50 | = | 60.0 | nM | 7.22 | Inhibition of USP7 in human RKO cells transfected with p53 luciferase reporter v... | 32302140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32302140 | 10.1021/acs.jmedchem.0c00245 | Ubiquitin carboxyl-terminal hydrolase 7 | 2 |
| 32302140 | 10.1021/acs.jmedchem.0c00245 | MM1.S | 1 |
| 32302140 | 10.1021/acs.jmedchem.0c00245 | NCI-H526 | 1 |
Data from ChEMBL 36 via Core Engine