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Compound Detail

CHEMBL211350

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Basic Information

ChEMBL ID CHEMBL211350
Phase Preclinical
Structure Type MOL
InChI Key WXFXGNCQLWNFKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

157.2
MW (Da)
0.06
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.60
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 C6H11N3O2
MW 157.17
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
16821803 10.1021/jm051288b Unchecked 2
16821803 10.1021/jm051288b GABA-A receptor; anion channel 2
16821803 10.1021/jm051288b GABA transporter 4 1
16821803 10.1021/jm051288b GABA transporter 3 1
16821803 10.1021/jm051288b GABA transporter 2 1
16821803 10.1021/jm051288b Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine