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Compound Detail

CHEMBL298365

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O=C(c1ccc[nH]1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21

Basic Information

ChEMBL ID CHEMBL298365
Phase Preclinical
Structure Type MOL
InChI Key YOSVVZKSJAEEIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.29
ALogP
6
HBA
1
HBD
92.8
PSA (Ų)
0.60
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 C20H16N6O2
MW 372.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.41

Activity Summary

Ki 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 8.96 8.96 1.1 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 2

Data from ChEMBL 36 via Core Engine