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Compound Detail

CHEMBL4544396

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CC(=O)Nc1ccc2c(c1)C(CC(=O)O)(OC(C)=O)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4544396
Phase Preclinical
Structure Type MOL
InChI Key BYDACMJBQUJAKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
0.83
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O6
MW 306.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
34780899 10.1016/j.bmcl.2021.128449 Unchecked 1

Data from ChEMBL 36 via Core Engine