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Compound Detail

CHEMBL43875

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Oc1nc2cc3c(cc2nc1O)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43875
Phase Preclinical
Structure Type MOL
InChI Key FKDUXSKMZDEBOH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
0.77
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6N2O4
MW 206.16
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.18

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12699379 10.1021/jm0210156 Glutamate [NMDA] receptor 2
9057859 10.1021/jm960654b Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine