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Compound Detail

CHEMBL194226

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CCn1nnnc1-c1onc(O)c1CC(N)C(=O)O

Basic Information

ChEMBL ID CHEMBL194226
Phase Preclinical
Structure Type MOL
InChI Key FMKVWGBJZLZPFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)
-0.99
ALogP
9
HBA
3
HBD
153.2
PSA (Ų)
0.62
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 C9H12N6O4
MW 268.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15857151 10.1021/jm050014l Glutamate receptor ionotropic, AMPA 1
15857151 10.1021/jm050014l Glutamate receptor ionotropic, kainate 1
15857151 10.1021/jm050014l Glutamate NMDA receptor 1
15857151 10.1021/jm050014l Glutamate receptor ionotropic, kainate 3 1

Data from ChEMBL 36 via Core Engine