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Compound Detail

CHEMBL24296

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COc1ccc(-c2cc3nc(N4CCCC4)c4ccccc4c3nn2)cc1

Basic Information

ChEMBL ID CHEMBL24296
Phase Preclinical
Structure Type MOL
InChI Key OEKRRNONKYUCFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.45
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.51
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 C22H20N4O
MW 356.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.11

Activity Summary

Ki 1 meas. best 7.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 7.73 7.73 18.7 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