Compound Detail
CHEMBL5595458
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COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)c(F)c3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5595458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLJFHWMAIJGAAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
579.6
MW (Da)
5.79
ALogP
9
HBA
0
HBD
100.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 CHEMBL3430885 | IC50 | 7.64 | 7.64 | 22.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | IC50 | = | 22.8 | nM | 7.64 | Inhibition of USP1-UAF1 complex (unknown origin) using Ub-7-amido-4-methylcoumar... | 38889606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38889606 | 10.1016/j.ejmech.2024.116568 | Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | 1 |
Data from ChEMBL 36 via Core Engine