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Compound Detail

CHEMBL4474319

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COc1ccccc1S(=O)(=O)N(C)c1ccc2c3c(cccc13)C(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474319
Phase Preclinical
Structure Type MOL
InChI Key KQIAAHGDJAKXAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.26
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.69
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 C20H18N2O4S
MW 382.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
31789032 10.1021/acs.jmedchem.9b01010 Bromodomain-containing protein 4 3

Data from ChEMBL 36 via Core Engine