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Compound Detail

CHEMBL40727

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CCC1(c2ccccc2)OC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40727
Phase Preclinical
Structure Type MOL
InChI Key SGQOVJBGRJMVJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
1.56
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.80
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 C11H11NO3
MW 205.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
2846842 10.1021/jm00119a025 Mus musculus 6
2544727 10.1021/jm00127a029 Mus musculus 3
2846842 10.1021/jm00119a025 Sodium channel alpha subunits; brain (Types I, II, III) 1
2544727 10.1021/jm00127a029 Sodium channel alpha subunits; brain (Types I, II, III) 1
3701788 10.1021/jm00155a030 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine