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Compound Detail

CHEMBL2324714

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O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL2324714
Phase Preclinical
Structure Type MOL
InChI Key XMPJICVFSDYOEG-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

274.2
MW (Da)
-0.21
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.69
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 C13H10N2O5
MW 274.23
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.12

Activity Summary

IC50 3 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
IC50 7.54 7.3 28.9 2
Protein cereblon
CHEMBL3763008
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32832021 10.1021/acsmedchemlett.0c00194 No relevant target 2
36970148 10.1039/d2md00347c Protein cereblon/GSPT1 2
36191408 10.1016/j.ejmech.2022.114792 Unchecked 2
36191408 10.1016/j.ejmech.2022.114792 Receptor-type tyrosine-protein kinase FLT3 2
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
32832021 10.1021/acsmedchemlett.0c00194 Albumin 1
32832021 10.1021/acsmedchemlett.0c00194 von Hippel-Lindau disease tumor suppressor/Androgen receptor 1
36970148 10.1039/d2md00347c Protein cereblon 1
36970148 10.1039/d2md00347c Cereblon/Ikaros 1

Data from ChEMBL 36 via Core Engine