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Compound Detail

CHEMBL315440

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NCC(CC(=O)O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315440
Phase Preclinical
Structure Type MOL
InChI Key AHHGOBRUDALIPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
0.91
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.67
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 C10H13NO3
MW 195.22
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.83

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
1652022 10.1021/jm00112a033 GABA B receptor 1

Data from ChEMBL 36 via Core Engine