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Compound Detail

CHEMBL4438406

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O=C1Nc2ccc(Nc3ccco3)cc2C1=Cc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438406
Phase Preclinical
Structure Type MOL
InChI Key OAOQHTRVKWMCBS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
4.22
ALogP
4
HBA
3
HBD
74.5
PSA (Ų)
0.63
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 C19H14N2O3
MW 318.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.53

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