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Compound Detail

CHEMBL1957201

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COC(=O)C1C(=O)c2c3c(n(Cc4ccccc4)c2CC1C)-c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957201
Phase Preclinical
Structure Type MOL
InChI Key QZGUNYABOLLCIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.91
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.39
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 C25H21NO4
MW 399.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.02

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