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Compound Detail

CHEMBL3144763

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COC(=O)c1sccc1-n1[nH]c2c(cnc3ccccc32)c1=O

Basic Information

ChEMBL ID CHEMBL3144763
Phase Preclinical
Structure Type MOL
InChI Key MMTSCFPZALSMRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.72
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.57
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 C16H11N3O3S
MW 325.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.21

Activity Summary

Ki 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
Ki 6.85 6.85 142.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2842502 10.1021/jm00117a012 Mus musculus 3
2842502 10.1021/jm00117a012 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine