Compound Detail
CHEMBL4643330
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O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](c3onc5c3CNCC5)C4)c2s1
Basic Information
| ChEMBL ID | CHEMBL4643330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNCPGZNISCICGU-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
4.58
ALogP
8
HBA
1
HBD
97.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 9.42 | 9.42 | 0.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | ng.hr.mL-1 | Rattus norvegicus |
| CL | 96.67 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 0.38 | nM | 9.42 | Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rho... | 32302140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32302140 | 10.1021/acs.jmedchem.0c00245 | ADMET | 4 |
| 32302140 | 10.1021/acs.jmedchem.0c00245 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
Data from ChEMBL 36 via Core Engine