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Compound Detail

CHEMBL1957205

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O=C1c2ccccc2-c2c1c1c(O)cccc1n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1957205
Phase Preclinical
Structure Type MOL
InChI Key KBWYFFCXQKUBNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.61
ALogP
3
HBA
1
HBD
42.2
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 C22H15NO2
MW 325.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 0.10

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