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Compound Detail

CHEMBL1957189

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O=C1CCCc2[nH]c3c(c21)C(=O)c1ccccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957189
Phase Preclinical
Structure Type MOL
InChI Key IVABJGUJUBMNQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
2.75
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO2
MW 237.26
Aromatic Rings 2
Heavy Atoms 18

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