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Compound Detail

CHEMBL311344

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CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(C(=O)O)c3)cc21

Basic Information

ChEMBL ID CHEMBL311344
Phase Preclinical
Structure Type MOL
InChI Key DNKXMLPAPRDIPO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
1.76
ALogP
7
HBA
2
HBD
123.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14F3N3O6
MW 425.32
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 1500.0 nM 5.82 In vitro binding affinity against AMPA receptor by [3H]AMPA displacement. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00428-9 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(97)00428-9 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine