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Compound Detail

CHEMBL76808

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CC1(CC(=O)O)c2ccc(F)cc2-c2nc(O)c(O)nc21

Basic Information

ChEMBL ID CHEMBL76808
Phase Preclinical
Structure Type MOL
InChI Key OJAJZCKXWLGTDY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.2
MW (Da)
1.79
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11FN2O4
MW 290.25
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.11

Activity Summary

IC50 2 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 7.82 7.82 15.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.89 5.89 1280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10882363 10.1021/jm990957g Glutamate NMDA receptor 1
10882363 10.1021/jm990957g Glutamate receptor ionotropic, AMPA 1
10882363 10.1021/jm990957g Mus musculus 1

Data from ChEMBL 36 via Core Engine