Compound Detail
CHEMBL5745757
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CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC(C)(C)C)ncnc4C4CC4)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL5745757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWUBFUWVUWCFRR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
6.29
ALogP
9
HBA
0
HBD
96.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1 CHEMBL1795087 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibitor Assay: Deubiquitinase activity was measured using ubiquitin-rhodamine ... | - |
Data from ChEMBL 36 via Core Engine