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Compound Detail

CHEMBL3322874

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Nc1ccc(C(=O)O)c(Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322874
Phase Preclinical
Structure Type MOL
InChI Key USUMQEZUENCWOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

172.6
MW (Da)
1.02
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5ClN2O2
MW 172.57
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.18

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