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Compound Detail

CHEMBL3322878

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Nc1cc(-c2ccccc2)c(C(=O)O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322878
Phase Preclinical
Structure Type MOL
InChI Key JAMKKFUPJWTOME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
2.03
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.80
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 C12H10N2O2
MW 214.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
25038482 10.1016/j.ejmech.2014.07.039 GABA-A receptor; anion channel 1
25038482 10.1016/j.ejmech.2014.07.039 GABA-A receptor; alpha-1/beta-2/gamma-2 1
25038482 10.1016/j.ejmech.2014.07.039 Gamma-aminobutyric acid receptor subunit rho-1 1

Data from ChEMBL 36 via Core Engine