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Compound Detail

CHEMBL5431003

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O=C1CCC(N2Cc3ccc(S(=O)(=O)F)cc3C2)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5431003
Phase Preclinical
Structure Type MOL
InChI Key CXFJUNPGGLCGBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
0.47
ALogP
5
HBA
1
HBD
83.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13FN2O4S
MW 312.32
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
IC50 7.15 7.15 71.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 71.0 nM 7.15 Inhibition of N-terminal fused Nano Luc CRBN in HEK293T cells by NanoBRET CRBN e... 38389883

Literature References

PubMed DOI Target Context # Activities
38389883 10.1039/d3md00652b Protein cereblon 1
38389883 10.1039/d3md00652b DNA-binding protein Ikaros 1

Data from ChEMBL 36 via Core Engine