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Compound Detail

CHEMBL192524

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CCOC(=O)c1cn(-c2ccccc2)c(-c2ccc(OC)cc2)n1

Basic Information

ChEMBL ID CHEMBL192524
Phase Preclinical
Structure Type MOL
InChI Key WFSJMYBJTKWATP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.72
ALogP
5
HBA
0
HBD
53.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O3
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.97

Activity Summary

EC50 1 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA A receptor alpha-2/beta-2/gamma-2
CHEMBL2111413
EC50 5.04 5.04 9100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15801854 10.1021/jm049120y GABA A receptor alpha-2/beta-2/gamma-2 2

Data from ChEMBL 36 via Core Engine