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Compound Detail

CHEMBL1957199

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CC1(C)CC(=O)c2c3c(n(Cc4ccccc4)c2C1)-c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957199
Phase Preclinical
Structure Type MOL
InChI Key VEWAKNUODVQOLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.90
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO2
MW 355.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.08

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