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Compound Detail

CHEMBL62842

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CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21

Basic Information

ChEMBL ID CHEMBL62842
Phase Preclinical
Structure Type MOL
InChI Key HWKMFWIFKLFYLM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
0.80
ALogP
7
HBA
1
HBD
115.8
PSA (Ų)
0.44
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 C13H11N5O4
MW 301.26
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.76

Activity Summary

Ki 2 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.72 6.72 190.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9207947 10.1021/jm960664c Glutamate receptor ionotropic, AMPA 1
8831762 10.1021/jm960387+ Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine