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Compound Detail

CHEMBL315093

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COc1ccc(CN[C@@H](C)C(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315093
Phase Preclinical
Structure Type MOL
InChI Key BIBSSUNARPRKNY-QMMMGPOBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
0.66
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O2
MW 208.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10498200 10.1016/s0960-894x(99)00415-1 Sodium channel alpha subunits; brain (Types I, II, III) 2
10498200 10.1016/s0960-894x(99)00415-1 Sigma non-opioid intracellular receptor 1 1
10498200 10.1016/s0960-894x(99)00415-1 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine