Compound Detail
CHEMBL5078004
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O=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5078004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJVKGYZEXZRQEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
1.79
ALogP
7
HBA
2
HBD
138.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| 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/DNA damage-binding protein 1 CHEMBL4630734 | 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/DNA damage-binding protein 1 | IC50 | = | 9.0 | nM | 8.05 | Displacement of Cy5-O-Len probe from 6XHis-tagged CRBN/DDB1 (unknown origin) inc... | 34042448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34042448 | 10.1021/acs.jmedchem.0c01313 | MV4-11 | 1 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | Protein cereblon/GSPT1 | 1 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | No relevant target | 1 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | ADMET | 1 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | Protein cereblon/DNA damage-binding protein 1 | 1 |
Data from ChEMBL 36 via Core Engine