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Compound Detail

CHEMBL12820

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Oc1nc2cc(-n3cccc3)c(C(F)(F)F)cc2nc1O

Basic Information

ChEMBL ID CHEMBL12820
Phase Preclinical
Structure Type MOL
InChI Key XWWKWPIMFBOKAY-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.2
MW (Da)
2.85
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.72
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 C13H8F3N3O2
MW 295.22
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.14

Activity Summary

Ki 3 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2096617
Ki 5.52 5.52 3000.0 1
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 5.52 5.52 3000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(96)00534-3 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(97)00428-9 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine