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Compound Detail

CHEMBL341492

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CN(C)C(=O)N1c2ccccc2-n2cnc(-c3ccc(F)cc3)c2C1(C)C

Basic Information

ChEMBL ID CHEMBL341492
Phase Preclinical
Structure Type MOL
InChI Key WJKPIZGANUNBDK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.42
ALogP
3
HBA
0
HBD
41.4
PSA (Ų)
0.64
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 C21H21FN4O
MW 364.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 6.79 6.79 163.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8809170 10.1021/jm960070+ GABA-A receptor; anion channel 2
8809170 10.1021/jm960070+ GABA-A receptor; alpha-1/beta-2/gamma-2 1
8809170 10.1021/jm960070+ Mus musculus 1

Data from ChEMBL 36 via Core Engine