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Compound Detail

CHEMBL4758352

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CN1CC(=O)NC1=O

Basic Information

ChEMBL ID CHEMBL4758352
Phase Preclinical
Structure Type MOL
InChI Key RHYBFKMFHLPQPH-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

114.1
MW (Da)
-0.83
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H6N2O2
MW 114.10
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.54

Activity Summary

IC50 1 meas.
Ki 1 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon
CHEMBL3763008
Ki 4.17 4.17 67800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein cereblon Ki = 67800.0 nM 4.17 Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... 33488967

Literature References

PubMed DOI Target Context # Activities
33488967 10.1021/acsmedchemlett.0c00440 Protein cereblon 2

Data from ChEMBL 36 via Core Engine