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Compound Detail

CHEMBL162149

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NCC(CC(=O)O)C1Cc2ccccc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162149
Phase Preclinical
Structure Type MOL
InChI Key KAYIZQUHJWALCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.04
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15NO3
MW 221.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
3031294 10.1021/jm00387a031 GABA-A receptor; anion channel 1
3031294 10.1021/jm00387a031 GABA B receptor 1

Data from ChEMBL 36 via Core Engine