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Compound Detail

CHEMBL155609

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Oc1nc2c(n3ccnc13)Cc1ccc(F)cc1-2

Basic Information

ChEMBL ID CHEMBL155609
Phase Preclinical
Structure Type MOL
InChI Key KYIALYPGPNJHGQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
2.15
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8FN3O
MW 241.22
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.01 6.01 970.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10741560 10.1016/s0960-894x(00)00054-8 Glutamate receptor ionotropic, AMPA 1
10741560 10.1016/s0960-894x(00)00054-8 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine