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Compound Detail

CHEMBL45051

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NC(Cc1c(OCC(=O)O)noc1C(F)(F)F)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45051
Phase Preclinical
Structure Type MOL
InChI Key HDDRMABQRJHGOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
0.11
ALogP
6
HBA
3
HBD
135.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9F3N2O6
MW 298.17
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80035-9 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(00)80035-9 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(00)80035-9 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine