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Compound Detail

CHEMBL14983

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CN(C)C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccccc21

Basic Information

ChEMBL ID CHEMBL14983
Phase Preclinical
Structure Type MOL
InChI Key WILXONULCIPALE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.83
ALogP
5
HBA
0
HBD
67.7
PSA (Ų)
0.75
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 C18H22N4O3
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.68

Activity Summary

Ki 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 8.28 8.28 5.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10197957 10.1021/jm9801307 GABA-A receptor; anion channel 2
10197957 10.1021/jm9801307 Rattus norvegicus 1
10197957 10.1021/jm9801307 GABA-A receptor; alpha-1/beta-2/gamma-2 1

Data from ChEMBL 36 via Core Engine