Compound Detail
CHEMBL5290122
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CC(CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCn4ccnc4)ccc3c2=O)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5290122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMCOEQVYLFBHDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
3.17
ALogP
8
HBA
2
HBD
122.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human USP7 using Ub-AMC as substrate | 32092586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
Data from ChEMBL 36 via Core Engine