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Compound Detail

CHEMBL294506

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CC(C)S(=O)(=O)N[C@H]1CCC[C@@H]1c1ccc(I)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294506
Phase Preclinical
Structure Type MOL
InChI Key HIEFOCVVJHTIMX-KGLIPLIRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
3.26
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.80
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 C14H20INO2S
MW 393.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.79

Activity Summary

EC50 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 4
CHEMBL3190
 EC50 7.48 7.255 32.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 4 EC50 = 32.8 nM 7.48 Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 c... 11985477
Glutamate receptor 4 EC50 = 93.1 nM 7.03 Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 c... 11985477

Literature References

PubMed DOI Target Context # Activities
11985477 10.1021/jm0105474 Glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine