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Compound Detail

CHEMBL308265

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CCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)no1

Basic Information

ChEMBL ID CHEMBL308265
Phase Preclinical
Structure Type MOL
InChI Key OSBWGEOWFPWDSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.9
MW (Da)
4.49
ALogP
6
HBA
0
HBD
69.1
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 C21H16ClN5O
MW 389.85
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2552115 10.1021/jm00130a010 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine