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Compound Detail

CHEMBL4066717

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N#Cc1cccc(Oc2ccc3c(c2)S(=O)(=O)NCN3C2CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066717
Phase Preclinical
Structure Type MOL
InChI Key WWYCRHJASXSTFA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.57
ALogP
5
HBA
1
HBD
82.4
PSA (Ų)
0.93
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 C17H15N3O3S
MW 341.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.13

Activity Summary

EC50 2 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor 2
CHEMBL4016
 EC50 6.35 6.345 450.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor 2 EC50 = 450.0 nM 6.35 Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expres... 29256599
Glutamate receptor 2 EC50 = 453.94 nM 6.34 Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expres... 29256599

Literature References

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

Data from ChEMBL 36 via Core Engine