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Compound Detail

CHEMBL4062524

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Cc1cccc(Oc2ccc3c(c2)S(=O)(=O)NCN3C2CC2)c1

Basic Information

ChEMBL ID CHEMBL4062524
Phase Preclinical
Structure Type MOL
InChI Key CLGPEEHBYMSIJX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.01
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3S
MW 330.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.83

Activity Summary

EC50 2 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
EC50 7.34 7.32 46.1 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