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Compound Detail

CHEMBL317637

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[Br-].c1csc(C2(c3cccs3)CC3c4ccccc4C2c2cccc[n+]23)c1

Basic Information

ChEMBL ID CHEMBL317637
Phase Preclinical
Structure Type MOL
InChI Key QNJCHQGGKQTNAC-UHFFFAOYSA-M
Parent Compound CHEMBL1183710
Active Moiety CHEMBL1183710
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
5.52
ALogP
2
HBA
0
HBD
3.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18BrNS2
MW 452.44
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 8.44 8.44 3.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873659 10.1016/s0960-894x(98)00541-1 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine