Compound Detail
CHEMBL5205494
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N#Cc1ccc(N[C@H]2CC[C@H](N(C(=O)NCc3ccccc3)c3ccc(N4CCN(C(=O)Nc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3)CC2)nc1
Basic Information
| ChEMBL ID | CHEMBL5205494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZGWGZGQYMUIEA-MLYUBCOLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
808.9
MW (Da)
4.85
ALogP
10
HBA
4
HBD
200.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon/CDK13 CHEMBL5169085 | EC50 | 8.35 | 8.35 | 4.5 | 1 |
| Protein cereblon/Cyclin-dependent kinase 12 CHEMBL4879535 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon/CDK13 | EC50 | = | 4.5 | nM | 8.35 | Protac activity at CRBN/CDK13 in human MDA-MB-231 cells assessed as induction of... | 35938508 |
| Protein cereblon/Cyclin-dependent kinase 12 | EC50 | = | 6.8 | nM | 8.17 | Protac activity at CRBN/CDK12 in human MDA-MB-231 cells assessed as induction of... | 35938508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35938508 | 10.1021/acs.jmedchem.2c00384 | Protein cereblon/Cyclin-dependent kinase 12 | 3 |
| 35938508 | 10.1021/acs.jmedchem.2c00384 | Protein cereblon/CDK13 | 3 |
Data from ChEMBL 36 via Core Engine