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Compound Detail

CHEMBL204581

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O=c1oc(-c2ccccc2)nn1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204581
Phase Preclinical
Structure Type MOL
InChI Key HZIQLGAOVBCLPL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.7
MW (Da)
3.15
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.72
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 C14H9ClN2O2
MW 272.69
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
16539371 10.1021/jm0509400 GABA-A receptor; anion channel 2
16539371 10.1021/jm0509400 Mus musculus 2
16539371 10.1021/jm0509400 No relevant target 1

Data from ChEMBL 36 via Core Engine