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Compound Detail

CHEMBL41666

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CCC1(c2ccccc2)OC(=O)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41666
Phase Preclinical
Structure Type MOL
InChI Key BWNMMRKYEBCJHN-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
1.90
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.76
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 C12H13NO3
MW 219.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.10

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7932556 10.1021/jm00046a013 Mus musculus 9
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
7932556 10.1021/jm00046a013 No relevant target 1
7932556 10.1021/jm00046a013 Sodium channel alpha subunits; brain (Types I, II, III) 1

Data from ChEMBL 36 via Core Engine