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Compound Detail

CHEMBL4442846

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COc1ccc2c(c1)/C(=C/C(=O)O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442846
Phase Preclinical
Structure Type MOL
InChI Key CYYUUCFZMXQHBV-YVMONPNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
1.12
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9NO4
MW 219.20
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.03

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