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Compound Detail

CHEMBL14649

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NC(=O)c1cn2c3c(nc(O)c2n1)-c1ccccc1C3

Basic Information

ChEMBL ID CHEMBL14649
Phase Preclinical
Structure Type MOL
InChI Key NAUZZYIWKIXOQD-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
1.10
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.54
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 C14H10N4O2
MW 266.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.56

Activity Summary

IC50 3 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.32 6.32 476.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.14 6.14 730.0 1
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 5.9 5.9 1250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10843235 10.1016/s0960-894x(00)00181-5 Mus musculus 2
10843235 10.1016/s0960-894x(00)00181-5 Glutamate receptor ionotropic, AMPA 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate NMDA receptor 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine