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Compound Detail

CHEMBL433424

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O=C(O)Cc1cn2c3c(nc(O)c2n1)-c1cccc(CC(=O)O)c1C3

Basic Information

ChEMBL ID CHEMBL433424
Phase Preclinical
Structure Type MOL
InChI Key QNZTYBLLVQDSEL-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
1.26
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O5
MW 339.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.30

Activity Summary

IC50 5 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 8.4 8.1467 4.0 3
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.68 5.68 2100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11206442 10.1016/s0960-894x(00)00592-8 Mus musculus 3
11133083 10.1016/s0960-894x(00)00561-8 Glutamate receptor ionotropic, AMPA 2
11206442 10.1016/s0960-894x(00)00592-8 Glutamate receptor ionotropic, AMPA 1
11206442 10.1016/s0960-894x(00)00592-8 Glutamate NMDA receptor 1
11133083 10.1016/s0960-894x(00)00561-8 Glutamate NMDA receptor 1
11133083 10.1016/s0960-894x(00)00561-8 Mus musculus 1

Data from ChEMBL 36 via Core Engine