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Compound Detail

CHEMBL339918

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O=C(NCc1ccc(F)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL339918
Phase Preclinical
Structure Type MOL
InChI Key XPQNOYOCHUHFCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
2.71
ALogP
4
HBA
2
HBD
105.1
PSA (Ų)
0.32
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 C17H12FN3O4
MW 341.30
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
8978839 10.1021/jm960240i GABA-A receptor; anion channel 1
9748357 10.1021/jm9800301 GABA-A receptor; anion channel 1
19469479 10.1021/jm9001154 Unchecked 1
19469479 10.1021/jm9001154 GABA-A receptor; alpha-1/beta-2/gamma-2 1
19469479 10.1021/jm9001154 Gamma-aminobutyric acid receptor subunit alpha-2 1
19469479 10.1021/jm9001154 GABA A receptor alpha-5/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine