Compound Detail
CHEMBL5400246
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O=C1CCC(N2Cc3cc(NC(=O)C4=Cc5ccc(OC(F)(F)F)cc5OC4)ccc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5400246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQZMTIDRIDBJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
2.76
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cereblon/Casein kinase I alpha CHEMBL4296102 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein cereblon-IKZF2 CHEMBL5465554 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cereblon/Casein kinase I alpha | EC50 | = | 1.0 | nM | 9.0 | Protac activity at CRBN/CK1alpha (unknown origin) transfected in HEK293T cells i... | 38085607 |
| Protein cereblon-IKZF2 | EC50 | = | 6.0 | nM | 8.22 | Protac activity at CRBN/IKZF2 (unknown origin) transfected in HEK293T cells incu... | 38085607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38085607 | 10.1021/acs.jmedchem.3c01736 | Protein cereblon-IKZF2 | 2 |
| 38085607 | 10.1021/acs.jmedchem.3c01736 | Cereblon/Casein kinase I alpha | 2 |
| 38085607 | 10.1021/acs.jmedchem.3c01736 | Cereblon/Ikaros | 1 |
| 38085607 | 10.1021/acs.jmedchem.3c01736 | Protein cereblon/GSPT1 | 1 |
| 38085607 | 10.1021/acs.jmedchem.3c01736 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine