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Compound Detail

CHEMBL72482

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CCOC(=O)N1CCCCC(O)(c2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72482
Phase Preclinical
Structure Type MOL
InChI Key AYJQJHGVSCHZTH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.04
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.90
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 C15H19NO4
MW 277.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2846842 10.1021/jm00119a025 Mus musculus 6
2846842 10.1021/jm00119a025 Sodium channel alpha subunits; brain (Types I, II, III) 1

Data from ChEMBL 36 via Core Engine