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Compound Detail

CHEMBL6407

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CN(C)N=Nc1ccc2c(c1)C(=O)N(C)Cc1c(C(=O)OC(C)(C)C)ncn1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6407
Phase Preclinical
Structure Type MOL
InChI Key HZWIRYNNPCVNQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.97
ALogP
7
HBA
0
HBD
92.4
PSA (Ų)
0.46
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 C19H24N6O3
MW 384.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.47

Activity Summary

Ki 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
 Ki 5.46 5.46 3489.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-A receptor; anion channel Ki = 3489.0 nM 5.46 Binding affinity for Diazepam-Sensitive fraction of GABA-A benzodiazepine recept... 8386769

Literature References

PubMed DOI Target Context # Activities
8386769 10.1021/jm00060a007 GABA-A receptor; anion channel 3

Data from ChEMBL 36 via Core Engine