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Compound Detail

CHEMBL356048

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O=C(OCc1cccnc1)c1cc2c3ccccc3nc-2c[nH]1

Basic Information

ChEMBL ID CHEMBL356048
Phase Preclinical
Structure Type MOL
InChI Key OLMRGLYJTFPUHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
3.42
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.59
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 C18H13N3O2
MW 303.32
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6300400 10.1021/jm00358a008 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine