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Compound Detail

CHEMBL306307

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N#CC(NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL306307
Phase Preclinical
Structure Type MOL
InChI Key RDNZIXFCEMCQHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.64
ALogP
5
HBA
2
HBD
128.9
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 C18H12N4O4
MW 348.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.23

Activity Summary

Ki 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
Ki 6.62 6.62 241.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11428922 10.1021/jm010827j GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine