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Compound Detail

CHEMBL348500

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CNC12CCCC1Cc1ccccc12

Basic Information

ChEMBL ID CHEMBL348500
Phase Preclinical
Structure Type MOL
InChI Key RQDISAYDOGIGPS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

187.3
MW (Da)
2.46
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.71
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 C13H17N
MW 187.29
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.27

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8459395 10.1021/jm00058a002 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine