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Compound Detail

CHEMBL4457780

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COc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H]3C(=O)O)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4457780
Phase Preclinical
Structure Type MOL
InChI Key IGBCLYVNLPKDFX-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.70
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O5S
MW 426.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
31283229 10.1021/acs.jmedchem.9b00818 Kelch-like ECH-associated protein 1 1

Data from ChEMBL 36 via Core Engine