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Compound Detail

CHEMBL351067

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O=C1CN=C(c2ccccc2)c2c(Cl)cccc2N1

Basic Information

ChEMBL ID CHEMBL351067
Phase Preclinical
Structure Type MOL
InChI Key GZLROLJNGZSEDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.7
MW (Da)
3.13
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.85
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 C15H11ClN2O
MW 270.72
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
926122 10.1021/jm00219a019 Mus musculus 4
8145224 10.1021/jm00032a007 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine