Compound Detail
CHEMBL5193983
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COC(=O)c1cc(-c2ccc(OC)c(OC)c2O)c(N)c(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)n1
Basic Information
| ChEMBL ID | CHEMBL5193983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQIQSIJCPXGLFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
2.10
ALogP
12
HBA
3
HBD
186.2
PSA (Ų)
0.41
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 CHEMBL6195 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of UCHL3 (unknown origin) incubated for 20 mins by fluorescence assay | 34752952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34752952 | 10.1016/j.ejmech.2021.113970 | Ubiquitin carboxyl-terminal hydrolase isozyme L3 | 1 |
Data from ChEMBL 36 via Core Engine