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Compound Detail

CHEMBL5397713

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O=C1CCC(NC(=O)Cc2cccc(S(=O)(=O)F)c2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397713
Phase Preclinical
Structure Type MOL
InChI Key LWEWTHYJTCCIIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
-0.19
ALogP
5
HBA
2
HBD
109.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13FN2O5S
MW 328.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
 IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 3600.0 nM 5.44 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

Data from ChEMBL 36 via Core Engine