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Compound Detail

CHEMBL2441069

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O=S1(=O)NCN(C2CC2)c2ccc(Br)cc21

Basic Information

ChEMBL ID CHEMBL2441069
Phase Preclinical
Structure Type MOL
InChI Key HGEYPDAIHVMWBT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
1.67
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11BrN2O2S
MW 303.18
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.73

Activity Summary

EC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL3503
EC50 5.32 5.32 4830.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 2 EC50 = 4830.0 nM 5.32 Positive allosteric modulation of GluA2 receptor in rat embryonic cortex neuron ... 24131202

Literature References

PubMed DOI Target Context # Activities
24131202 10.1021/jm4012092 Glutamate receptor 2 3

Data from ChEMBL 36 via Core Engine