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Compound Detail

CHEMBL330816

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O=C(O)c1ccc2c(c1)C1c3cccc[n+]3C2CC1(c1ccoc1)c1ccoc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330816
Phase Preclinical
Structure Type MOL
InChI Key WJAIXKHFYYKSIQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
4.28
ALogP
3
HBA
1
HBD
67.5
PSA (Ų)
0.54
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 C24H18NO4+
MW 384.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
7658445 10.1021/jm00018a018 Glutamate NMDA receptor 1
7658445 10.1021/jm00018a018 No relevant target 1

Data from ChEMBL 36 via Core Engine