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Compound Detail

CHEMBL2324704

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O=C1CCC(N2Cc3cccc(O)c3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL2324704
Phase Preclinical
Structure Type MOL
InChI Key ZHINEOZMGPJDNM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
0.15
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O4
MW 260.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.54

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
IC50 6.47 6.47 337.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon IC50 = 337.0 nM 6.47 Displacement of fluorescent tracer from NanoLuc-tagged CRBN (unknown origin) by ... 36970148

Literature References

PubMed DOI Target Context # Activities
23168019 10.1016/j.bmcl.2012.10.071 NON-PROTEIN TARGET 1
23168019 10.1016/j.bmcl.2012.10.071 T-cell 1
23168019 10.1016/j.bmcl.2012.10.071 PBMC 1
36970148 10.1039/d2md00347c Protein cereblon 1
36970148 10.1039/d2md00347c Cereblon/Ikaros 1
36970148 10.1039/d2md00347c Protein cereblon/GSPT1 1

Data from ChEMBL 36 via Core Engine