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Compound Detail

CHEMBL39810

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CCCCC1(c2ccccc2)NC(=O)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39810
Phase Preclinical
Structure Type MOL
InChI Key OGQRHFRWZYUNEG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.25
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O2
MW 246.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.47

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10229624 10.1021/jm980556l No relevant target 1
10229624 10.1021/jm980556l 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
24332655 10.1016/j.bmc.2013.11.049 Unchecked 1

Data from ChEMBL 36 via Core Engine