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Compound Detail

CHEMBL4516094

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COc1cc(/C=C2\C(=O)Nc3ccc(Nc4ccco4)cc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4516094
Phase Preclinical
Structure Type MOL
InChI Key BHPDHKMJRCEADL-SXGWCWSVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
4.54
ALogP
6
HBA
2
HBD
82.0
PSA (Ų)
0.60
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 C22H20N2O5
MW 392.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.51

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
30902399 10.1016/j.bmc.2019.03.028 A549 1

Data from ChEMBL 36 via Core Engine