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Compound Detail

CHEMBL62431

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Oc1nc2cc(-n3ccnc3)c(C(F)(F)F)cc2nc1O

Basic Information

ChEMBL ID CHEMBL62431
Phase Preclinical
Structure Type MOL
InChI Key PAMZQARDWOTZDT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.2
MW (Da)
2.25
ALogP
6
HBA
2
HBD
84.1
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 C12H7F3N4O2
MW 296.21
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.41

Activity Summary

Ki 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.7 6.7 200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9207947 10.1021/jm960664c Glutamate receptor ionotropic, AMPA 1
8120865 10.1021/jm00030a006 Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine