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Compound Detail

CHEMBL38760

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CCCCC1(c2ccccc2C)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38760
Phase Preclinical
Structure Type MOL
InChI Key XZXAVYBYAYLCTE-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.22
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.80
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 -0.24

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
10229624 10.1021/jm980556l No relevant target 2
10229624 10.1021/jm980556l Sodium channel alpha subunits; brain (Types I, II, III) 2
9046351 10.1021/jm960692v Sodium channel alpha subunits; brain (Types I, II, III) 2
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2
9046351 10.1021/jm960692v No relevant target 1
19346132 10.1016/j.bmc.2008.10.031 No relevant target 1

Data from ChEMBL 36 via Core Engine