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Compound Detail

CHEMBL1957206

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COc1ccc(CCn2c3c(c4c(O)cccc42)C(=O)c2ccccc2-3)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957206
Phase Preclinical
Structure Type MOL
InChI Key ZYFLRTZQQARDEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.82
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
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 4
Heavy Atoms 30
NP-Likeness 0.16

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