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Compound Detail

CHEMBL266919

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CCNc1ncnc2c1ncn2Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL266919
Phase Preclinical
Structure Type MOL
InChI Key JZDSDAMMPUJMHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
2.31
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N5
MW 253.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2540330 10.1021/jm00125a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine