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Compound Detail

CHEMBL4092527

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CN1CNS(=O)(=O)c2cc(Oc3ccccc3)ccc21

Basic Information

ChEMBL ID CHEMBL4092527
Phase Preclinical
Structure Type MOL
InChI Key ZFVITKPIGVTYEY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.16
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.92
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 C14H14N2O3S
MW 290.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.62

Activity Summary

EC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
EC50 5.12 5.12 7620.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29256599 10.1021/acs.jmedchem.7b01323 Glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine