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Compound Detail

CHEMBL358804

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CCOC(=O)c1ncn2c1CN(c1ccccc1)C(=O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358804
Phase Preclinical
Structure Type MOL
InChI Key ISTPBEARBDIFLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.21
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O3
MW 347.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
8386247 10.1021/jm00056a008 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine