Compound Detail
CHEMBL4638998
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
Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)c1NC1CCCNC1
Basic Information
| ChEMBL ID | CHEMBL4638998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEAPPVUIFDAOQU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
509.1
MW (Da)
5.23
ALogP
6
HBA
2
HBD
74.3
PSA (Ų)
0.46
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.48
IC50 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | EC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 0.78 | nM | 9.11 | Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rho... | 32302140 |
| Ubiquitin carboxyl-terminal hydrolase 7 | EC50 | = | 33.0 | nM | 7.48 | 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 |
Data from ChEMBL 36 via Core Engine