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Compound Detail

CHEMBL377939

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CCOC(=O)c1cnc2ccnn2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377939
Phase Preclinical
Structure Type MOL
InChI Key NVDWGKJXHWMJEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
0.61
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.73
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 C9H9N3O3
MW 207.19
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.65

Literature References

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

Data from ChEMBL 36 via Core Engine