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Compound Detail

CHEMBL4071167

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COc1ccccc1Oc1ccc2c(c1)S(=O)(=O)NCN2C1CC1

Basic Information

ChEMBL ID CHEMBL4071167
Phase Preclinical
Structure Type MOL
InChI Key LQANMLZZZONKCX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.71
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.92
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 C17H18N2O4S
MW 346.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.52

Activity Summary

EC50 2 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
EC50 4.81 4.81 15595.5 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