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Compound Detail

CHEMBL39126

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O=C1NC2(c3ccccc3)CCCCCN1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39126
Phase Preclinical
Structure Type MOL
InChI Key MNVKFVQOGNESFK-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.01
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O2
MW 244.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.51

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
7932556 10.1021/jm00046a013 Mus musculus 8
10229624 10.1021/jm980556l No relevant target 2
10229624 10.1021/jm980556l Sodium channel alpha subunits; brain (Types I, II, III) 2
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