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Compound Detail

CHEMBL138491

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N#[N+]c1ccc2c(O)c(-c3cccc(Oc4ccccc4)c3)c(O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138491
Phase Preclinical
Structure Type MOL
InChI Key XCWMPGVZCYODDR-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
5.59
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14N3O3+
MW 356.36
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
10543883 10.1021/jm9910730 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine