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Compound Detail

CHEMBL120184

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Oc1cccc2[n+]1C1CC(c3ccoc3)(c3ccoc3)C2c2ccccc21

Basic Information

ChEMBL ID CHEMBL120184
Phase Preclinical
Structure Type MOL
InChI Key LDIRTRYGOHSAHW-UHFFFAOYSA-O
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
4.29
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18NO3+
MW 356.40
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness 0.65

Activity Summary

Ki 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 5.42 5.42 3785.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658445 10.1021/jm00018a018 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine