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Compound Detail

CHEMBL316964

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c1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)no1

Basic Information

ChEMBL ID CHEMBL316964
Phase Preclinical
Structure Type MOL
InChI Key RVDZQXGLWJSUIK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.49
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.71
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 C13H12N4O
MW 240.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.07

Activity Summary

Ki 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8709114 10.1021/jm9600609 Mus musculus 3
8709114 10.1021/jm9600609 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine