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Compound Detail

CHEMBL5266558

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N#Cc1cc2c(cn1)[nH]c1ccccc12

Basic Information

ChEMBL ID CHEMBL5266558
Phase Preclinical
Structure Type MOL
InChI Key RYLDZJANGRBUGW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
2.59
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H7N3
MW 193.21
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2093872
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33528252 10.1021/acs.jmedchem.0c01887 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine