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Compound Detail

CHEMBL1169568

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O=C1O[C@]2(c3ccccc3)CCCCCN1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1169568
Phase Preclinical
Structure Type MOL
InChI Key JHTPNSZLWPWZLV-AWEZNQCLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.43
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.76
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 C14H15NO3
MW 245.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2846842 10.1021/jm00119a025 Mus musculus 6
2544727 10.1021/jm00127a029 Mus musculus 3
2846842 10.1021/jm00119a025 Sodium channel alpha subunits; brain (Types I, II, III) 1
2544727 10.1021/jm00127a029 Sodium channel alpha subunits; brain (Types I, II, III) 1

Data from ChEMBL 36 via Core Engine