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Compound Detail

CHEMBL419673

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C[C@H](NCc1ccc(OCc2ccccc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419673
Phase Preclinical
Structure Type MOL
InChI Key ZYTDDEJNRTURGA-ZDUSSCGKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.83
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO3
MW 285.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.67

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 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine