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Compound Detail

CHEMBL3322879

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Nc1ncc(C(=O)O)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322879
Phase Preclinical
Structure Type MOL
InChI Key FKCUPIYQJSBUPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

264.0
MW (Da)
0.97
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.74
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 C6H5IN2O2
MW 264.02
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.59

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