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Compound Detail

CHEMBL120752

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O=S(=O)([O-])c1cccc2c1C1c3cccc[n+]3C2CC1(c1ccoc1)c1ccoc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120752
Phase Preclinical
Structure Type MOL
InChI Key MVUAFKQOTLQRMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.49
ALogP
5
HBA
0
HBD
87.4
PSA (Ų)
0.37
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 C23H17NO5S
MW 419.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.29

Literature References

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

Data from ChEMBL 36 via Core Engine