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Compound Detail

CHEMBL4593926

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CN1C(=O)c2cc(-c3ccoc3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4)ccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593926
Phase Preclinical
Structure Type MOL
InChI Key CDZTWSWMCDHFDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.9
MW (Da)
5.14
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15ClN2O4S
MW 438.89
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
31789032 10.1021/acs.jmedchem.9b01010 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine