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Compound Detail

CHEMBL4561295

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O=C1CC(NC(=O)c2sc3cccc(Cl)c3c2Cl)C(=O)N1

Basic Information

ChEMBL ID CHEMBL4561295
Phase Preclinical
Structure Type MOL
InChI Key GQJDFUNHZMFVSN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)
2.35
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8Cl2N2O3S
MW 343.19
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cereblon isoform 4
CHEMBL3763007
Ki 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cereblon isoform 4 Ki = 20000.0 nM 4.7 Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense ... 31251063

Literature References

PubMed DOI Target Context # Activities
31251063 10.1021/acs.jmedchem.9b00454 Cereblon isoform 4 1
31251063 10.1021/acs.jmedchem.9b00454 Cereblon/Casein kinase I alpha 1
31251063 10.1021/acs.jmedchem.9b00454 Protein cereblon/Aiolos 1

Data from ChEMBL 36 via Core Engine