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Compound Detail

CHEMBL5279477

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

Basic Information

ChEMBL ID CHEMBL5279477
Phase Preclinical
Structure Type MOL
InChI Key IAJNULNMWPZFDR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
5
PK Parameters
7
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
0.11
ALogP
5
HBA
1
HBD
100.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11FN2O5S
MW 326.31
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.16

Activity Summary

IC50 3 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
 IC50 9.06 8.9933 0.9 3

Pharmacokinetic Data

Parameter Value Units Species
CL 13.7 mL.min-1.kg-1 Homo sapiens
CL 9.6 mL.min-1.kg-1 Homo sapiens
T1/2 0.1167 hr Homo sapiens
T1/2 0.1167 hr Homo sapiens
T1/2 0.1167 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 0.88 nM 9.06 Inhibition of CRBN (unknown origin) 38711345
Protein cereblon IC50 = 1.1 nM 8.96 Displacement of BODIPY-lenalidomide from human N-terminal NanoLuc-fused CRBN exp... 37974938
Protein cereblon IC50 = 1.1 nM 8.96 Inhibition of N-terminal fused Nano Luc CRBN in HEK293T cells by NanoBRET CRBN e... 38389883

Literature References

PubMed DOI Target Context # Activities
36325394 10.1039/d2md00258b ADMET 3
37974938 10.1021/acsmedchemlett.3c00371 Protein cereblon 1
37974938 10.1021/acsmedchemlett.3c00371 ADMET 1
37974938 10.1021/acsmedchemlett.3c00371 Unchecked 1
38389883 10.1039/d3md00652b Protein cereblon 1
38711345 10.1021/acs.jmedchem.3c01825 ADMET 1
38711345 10.1021/acs.jmedchem.3c01825 Protein cereblon 1

Data from ChEMBL 36 via Core Engine