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Compound Detail

CHEMBL44079

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O=[N+]([O-])c1c(O)nc2c(Cl)c(Cl)c(Cl)cc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44079
Phase Preclinical
Structure Type MOL
InChI Key MDQMRGQLWLSOKM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.5
MW (Da)
3.51
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H3Cl3N2O4
MW 309.49
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.82

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12699379 10.1021/jm0210156 Glutamate [NMDA] receptor 2
8917657 10.1021/jm960520y Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine