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Compound Detail

CHEMBL62321

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O=C1NCCCC1(O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62321
Phase Preclinical
Structure Type MOL
InChI Key WHSXWARBKAFMCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
0.78
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.69
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 C11H13NO2
MW 191.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
6694169 10.1021/jm00368a017 Mus sp. 5
2846842 10.1021/jm00119a025 Mus musculus 3
2846842 10.1021/jm00119a025 Sodium channel alpha subunits; brain (Types I, II, III) 1
6694169 10.1021/jm00368a017 Mus musculus 1

Data from ChEMBL 36 via Core Engine