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Compound Detail

CHEMBL293865

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CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(N2CCCC2=O)c1

Basic Information

ChEMBL ID CHEMBL293865
Phase Preclinical
Structure Type MOL
InChI Key ACOUGQZTBDAPRO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
2.83
ALogP
6
HBA
0
HBD
67.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19BrN6O
MW 415.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 4.33 4.33 47000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1967311 10.1021/jm00163a032 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine