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Compound Detail

CHEMBL283784

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c1ccc(-c2cc3nc(N4CCOCC4)c4ccccc4c3nn2)cc1

Basic Information

ChEMBL ID CHEMBL283784
Phase Preclinical
Structure Type MOL
InChI Key JRPLEARVGIUFIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.68
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O
MW 342.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 6.82 6.82 152.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2993620 10.1021/jm00147a034 Mus musculus 3
2993620 10.1021/jm00147a034 GABA-A receptor; anion channel 2
2993620 10.1021/jm00147a034 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine