Compound Detail
CHEMBL5082689
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CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCCNc5cccc(C6CCC(=O)NC6=O)c5)cc4)nc4[nH]ccc34)cn2)C1
Basic Information
| ChEMBL ID | CHEMBL5082689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMDKCHNRIDZCIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
763.9
MW (Da)
3.98
ALogP
12
HBA
5
HBD
219.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | IC50 | 8.95 | 8.95 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | IC50 | = | 1.13 | nM | 8.95 | Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization a... | 35300081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35300081 | 10.1021/acsmedchemlett.1c00650 | Protein cereblon/Tyrosine-protein kinase JAK2 | 1 |
| 35300081 | 10.1021/acsmedchemlett.1c00650 | Unchecked | 1 |
| 35300081 | 10.1021/acsmedchemlett.1c00650 | Protein cereblon/GSPT1 | 1 |
| 35300081 | 10.1021/acsmedchemlett.1c00650 | Protein cereblon | 1 |
Data from ChEMBL 36 via Core Engine