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Compound Detail

CHEMBL9750

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O=Nc1c(O)[nH]c2c3c(c([N+](=O)[O-])cc12)CCCC3

Basic Information

ChEMBL ID CHEMBL9750
Phase Preclinical
Structure Type MOL
InChI Key SADZJARZJNQZHT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

261.2
MW (Da)
3.06
ALogP
5
HBA
2
HBD
108.6
PSA (Ų)
0.49
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 C12H11N3O4
MW 261.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.09 5.09 8100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80101-8 Mus musculus 3
- 10.1016/S0960-894X(00)80101-8 Rattus norvegicus 2
- 10.1016/S0960-894X(00)80101-8 Glutamate receptor ionotropic, AMPA 1
- 10.1016/S0960-894X(00)80101-8 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine