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Compound Detail

CHEMBL153195

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CC(C)OC(=O)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12

Basic Information

ChEMBL ID CHEMBL153195
Phase Preclinical
Structure Type MOL
InChI Key WNDIDYSCZWXEJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.7
MW (Da)
1.73
ALogP
6
HBA
0
HBD
83.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11ClN4O3
MW 306.71
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.34

Activity Summary

Ki 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2093872
Ki 6.57 6.57 272.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12477354 10.1021/jm020944u GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine