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Compound Detail

CHEMBL340285

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Cc1ccc(-c2ncn3c2CN(C(=O)N(C)C)c2ccccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340285
Phase Preclinical
Structure Type MOL
InChI Key KOTDYTILXIGIBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.85
ALogP
3
HBA
0
HBD
41.4
PSA (Ų)
0.68
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 C20H20N4O
MW 332.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
 Ki 7.96 7.96 11.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-A receptor; anion channel Ki = 11.1 nM 7.96 Binding affinity against benzodiazepine receptor (BzR) in rat cortical membranes... 8809170

Literature References

PubMed DOI Target Context # Activities
8809170 10.1021/jm960070+ Mus musculus 2
8809170 10.1021/jm960070+ GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine