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Compound Detail

CHEMBL4464997

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COc1ccc2c(c1)/C(=C/C#N)C(=O)N2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4464997
Phase Preclinical
Structure Type MOL
InChI Key YQPZCELOXFHOOQ-DHDCSXOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.15
ALogP
3
HBA
0
HBD
53.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O2
MW 290.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine