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Compound Detail

CHEMBL5086219

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C=CC(=O)NCCN1C(=O)CC(c2ccccc2)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5086219
Phase Preclinical
Structure Type MOL
InChI Key AOXVBJYTWMVMNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.56
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N2O2S
MW 352.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
34027661 10.1021/acs.jmedchem.0c02254 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine