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Compound Detail

CHEMBL181147

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COc1ccc(-c2cc3c(NC(=O)N4CCOCC4)ncnc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181147
Phase Preclinical
Structure Type MOL
InChI Key RZKOMLMHARZINQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.76
ALogP
6
HBA
1
HBD
89.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O4
MW 354.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
15225695 10.1016/j.bmcl.2004.05.064 Glycogen synthase kinase-3 beta 1
15225695 10.1016/j.bmcl.2004.05.064 Cyclin-dependent kinase 2 1
15225695 10.1016/j.bmcl.2004.05.064 Vascular endothelial growth factor receptor 2 1
30616053 10.1016/j.ejmech.2018.12.073 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine