Compound Detail
CHEMBL5414565
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Cc1cccc(C)c1Nc1nn(C)c2nc(Nc3ccc4c(c3)CN(CC3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)CC4)ncc12
Basic Information
| ChEMBL ID | CHEMBL5414565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIAKHDZSMZDZQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
752.9
MW (Da)
5.14
ALogP
12
HBA
3
HBD
157.7
PSA (Ų)
0.18
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase BTK CHEMBL4523704 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Tyrosine-protein kinase BTK | EC50 | = | 4.0 | nM | 8.4 | PROTAC activity at CRBN/BTK in human TMD8 cells assessed as induction of BTK deg... | 36566716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36566716 | 10.1016/j.ejmech.2022.115037 | Protein cereblon/Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine