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Compound Detail

CHEMBL318653

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CCCC1(N)c2ccccc2-c2nc(O)c3nccn3c21

Basic Information

ChEMBL ID CHEMBL318653
Phase Preclinical
Structure Type MOL
InChI Key FDUVYYIIYYFDEW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.42
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.76
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 C16H16N4O
MW 280.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.10

Activity Summary

IC50 2 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.38 6.38 420.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10571148 10.1016/s0960-894x(99)00502-8 Glutamate receptor ionotropic, AMPA 1
10571148 10.1016/s0960-894x(99)00502-8 Glutamate NMDA receptor 1
10571148 10.1016/s0960-894x(99)00502-8 Mus musculus 1

Data from ChEMBL 36 via Core Engine