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Compound Detail

CHEMBL155571

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COc1cccc(-c2ccc3nnc(C)n3n2)c1

Basic Information

ChEMBL ID CHEMBL155571
Phase Preclinical
Structure Type MOL
InChI Key RWQMGULQGDJJPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
2.11
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O
MW 240.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -2.25

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
IC50 6.51 6.51 309.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
6113284 10.1021/jm00137a020 Rattus norvegicus 2
6113284 10.1021/jm00137a020 GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine