Compound Detail
CHEMBL5424163
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O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCN1CCC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5424163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVXKUINUYLVQFZ-YJJLJQPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
755.3
MW (Da)
4.70
ALogP
10
HBA
4
HBD
178.7
PSA (Ų)
0.10
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 12 CHEMBL4879535 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/Cyclin-dependent kinase 12 | IC50 | = | 9.0 | nM | 8.05 | Protac activity at CRBN/CDK12 in human MOLT-4 cells assessed as reduction of pro... | 37731700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731700 | 10.1039/d3md00004d | Protein cereblon/Cyclin-dependent kinase 12 | 1 |
Data from ChEMBL 36 via Core Engine