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Compound Detail

CHEMBL5074427

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O=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3C2=O)C(=O)N1

Basic Information

ChEMBL ID CHEMBL5074427
Phase Preclinical
Structure Type MOL
InChI Key HLDGYGDHHNONSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

447.9
MW (Da)
1.54
ALogP
6
HBA
2
HBD
129.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClN3O6S
MW 447.86
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34042448 10.1021/acs.jmedchem.0c01313 MV4-11 1
34042448 10.1021/acs.jmedchem.0c01313 Protein cereblon/GSPT1 1
34042448 10.1021/acs.jmedchem.0c01313 No relevant target 1
34042448 10.1021/acs.jmedchem.0c01313 ADMET 1
34042448 10.1021/acs.jmedchem.0c01313 Protein cereblon/DNA damage-binding protein 1 1

Data from ChEMBL 36 via Core Engine