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Compound Detail

CHEMBL5431074

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O=C1CCC(N2Cc3ccc(S(=O)(=O)n4cnc(C(F)(F)F)c4)cc3C2=O)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431074
Phase Preclinical
Structure Type MOL
InChI Key MWGZKBUCRJPIJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
0.90
ALogP
7
HBA
1
HBD
118.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F3N4O5S
MW 442.38
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
 IC50 7.26 7.26 54.9 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.1083 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 54.9 nM 7.26 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