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Compound Detail

CHEMBL1957197

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COc1ccc(Cn2c3c(c4c2-c2ccccc2C4=O)C(=O)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957197
Phase Preclinical
Structure Type MOL
InChI Key WXZPMRFNTJNHPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.28
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.55
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 C23H19NO3
MW 357.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
22377675 10.1016/j.bmc.2012.02.017 Casein kinase II alpha/beta 2

Data from ChEMBL 36 via Core Engine