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Compound Detail

CHEMBL327886

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c1ccc2c(c1)ncc1[nH]c(-c3ccno3)nc12

Basic Information

ChEMBL ID CHEMBL327886
Phase Preclinical
Structure Type MOL
InChI Key UUXRLWMSXPASFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
2.77
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.55
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 C13H8N4O
MW 236.23
Aromatic Rings 4
Heavy Atoms 18
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8709114 10.1021/jm9600609 Mus musculus 3
8709114 10.1021/jm9600609 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine