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Compound Detail

CHEMBL19955

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O=C(O)c1cn2c3c(nc(O)c2n1)-c1ccccc1C3N1CC=CC1=O

Basic Information

ChEMBL ID CHEMBL19955
Phase Preclinical
Structure Type MOL
InChI Key AAHYPUHOANEINX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
1.60
ALogP
6
HBA
2
HBD
108.0
PSA (Ų)
0.73
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 C18H12N4O4
MW 348.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.11

Activity Summary

IC50 2 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 7.64 7.64 23.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.74 6.74 184.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11354378 10.1016/s0960-894x(01)00180-9 Mus musculus 2
11354378 10.1016/s0960-894x(01)00180-9 Glutamate receptor ionotropic, AMPA 1
11354378 10.1016/s0960-894x(01)00180-9 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine