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Compound Detail

CHEMBL329639

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O=C(O)Cc1ccc2c(c1)Cc1c-2nc(O)c2nc(C(=O)O)cn12

Basic Information

ChEMBL ID CHEMBL329639
Phase Preclinical
Structure Type MOL
InChI Key XMGKNMJESPOXJS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
1.33
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O5
MW 325.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.32

Activity Summary

IC50 2 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 6.67 6.44 214.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11133083 10.1016/s0960-894x(00)00561-8 Glutamate receptor ionotropic, AMPA 2
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