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Compound Detail

CHEMBL4444867

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CN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4Cl)ccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444867
Phase Preclinical
Structure Type MOL
InChI Key SOYQGJVXQCGPCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.4
MW (Da)
5.74
ALogP
5
HBA
1
HBD
84.3
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18Cl2N4O3S
MW 513.41
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.53

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