Compound Detail
CHEMBL4126079
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C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(=O)c4c(c(=O)c3cc12)c1c(=O)c2cc3c(cc2c(=O)c1c1c(=O)c2cc5c(cc2c(=O)c41)[C@]1(C)CCCc2coc(c21)C5=O)[C@]1(C)CCCc2coc(c21)C3=O
Basic Information
| ChEMBL ID | CHEMBL4126079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHPGHFDDGVWCQK-RATTXREYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
948.9
MW (Da)
8.42
ALogP
12
HBA
0
HBD
193.1
PSA (Ų)
0.10
QED
3
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 6.12 | 6.12 | 750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of human recombinant 6His-tagged USP7 using Ub-Rh110 as substrate pre... | 28768102 |
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of human USP7 using ubiquitin-Rh110 as substrate incubated for 30 min... | 32092586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28768102 | 10.1021/acs.jmedchem.7b00498 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
Data from ChEMBL 36 via Core Engine