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Compound Detail

CHEMBL4461606

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C=CC(=O)Nc1ccc2nc(NC(=O)NCc3ccc(OC)cc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461606
Phase Preclinical
Structure Type MOL
InChI Key XFZXFRVMIVBISB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.75
ALogP
5
HBA
3
HBD
92.3
PSA (Ų)
0.57
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 C19H18N4O3S
MW 382.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
31054862 10.1016/j.bmcl.2019.04.049 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine