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Compound Detail

CHEMBL203223

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CCOC(=O)c1cnc2cc(C)nn2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL203223
Phase Preclinical
Structure Type MOL
InChI Key UVUGZZJFXZBMBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.2
MW (Da)
0.92
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N3O3
MW 221.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
16610795 10.1021/jm058057p GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine