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Compound Detail

CHEMBL299326

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CC(C)OC(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21

Basic Information

ChEMBL ID CHEMBL299326
Phase Preclinical
Structure Type MOL
InChI Key NFFGIYQLMFKVOE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.66
ALogP
7
HBA
0
HBD
86.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N5O3
MW 365.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.25

Activity Summary

Ki 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568803 10.1021/jm940765f GABA-A receptor; anion channel 2
8568803 10.1021/jm940765f Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine