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Compound Detail

CHEMBL117502

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O=C(Nc1ccccc1C(=O)O)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117502
Phase Preclinical
Structure Type MOL
InChI Key GLMIFAZDZFKOMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

494.4
MW (Da)
2.57
ALogP
11
HBA
4
HBD
219.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14N6O9
MW 494.38
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
14505662 10.1016/s0960-894x(03)00740-6 Glutamate receptor ionotropic, AMPA 1
14505662 10.1016/s0960-894x(03)00740-6 Glutamate receptors; NMDA/AMPA 1

Data from ChEMBL 36 via Core Engine