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Compound Detail

CHEMBL5413999

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O=C1CCC(N2Cc3ccc(S(=O)(=O)n4ccc(F)n4)cc3C2=O)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5413999
Phase Preclinical
Structure Type MOL
InChI Key IUXYXXBAHQMFKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
0.02
ALogP
7
HBA
1
HBD
118.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN4O5S
MW 392.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
 IC50 5.79 5.79 1629.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.917 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 1629.0 nM 5.79 Displacement of BODIPY-lenalidomide from human N-terminal NanoLuc-fused CRBN exp... 37974938

Literature References

PubMed DOI Target Context # Activities
37974938 10.1021/acsmedchemlett.3c00371 Protein cereblon 1
37974938 10.1021/acsmedchemlett.3c00371 ADMET 1
37974938 10.1021/acsmedchemlett.3c00371 Unchecked 1

Data from ChEMBL 36 via Core Engine