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Compound Detail

CHEMBL276260

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CN(C)c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL276260
Phase Preclinical
Structure Type MOL
InChI Key DPXSJUBFEOTLHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.9
MW (Da)
4.26
ALogP
6
HBA
0
HBD
49.6
PSA (Ų)
0.52
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 C21H21ClN6
MW 392.89
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.76

Activity Summary

Ki 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 6.41 6.41 393.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2836588 10.1021/jm00401a010 Mus musculus 2
2836588 10.1021/jm00401a010 GABA-A receptor; anion channel 1
2836588 10.1021/jm00401a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine