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Compound Detail

CHEMBL72245

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O=C1NCCCCCC1(O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72245
Phase Preclinical
Structure Type MOL
InChI Key XAWRDZYBYBBCLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
1.56
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
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 C13H17NO2
MW 219.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
2846842 10.1021/jm00119a025 Mus musculus 6
2846842 10.1021/jm00119a025 Sodium channel alpha subunits; brain (Types I, II, III) 1

Data from ChEMBL 36 via Core Engine