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Compound Detail

CHEMBL118585

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O=C(O)c1nc2cc(-n3cnc(CO)c3)c([N+](=O)[O-])cc2nc1O

Basic Information

ChEMBL ID CHEMBL118585
Phase Preclinical
Structure Type MOL
InChI Key DRLUXBUSKPFNHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
0.62
ALogP
9
HBA
3
HBD
164.5
PSA (Ų)
0.46
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 C13H9N5O6
MW 331.24
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.92

Activity Summary

Ki 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14505662 10.1016/s0960-894x(03)00740-6 Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine