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Compound Detail

CHEMBL380805

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N[C@@H](Cn1cc([N+](=O)[O-])c(=O)n(CCC(=O)O)c1=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380805
Phase Preclinical
Structure Type MOL
InChI Key USLMBZUHALNLAG-YFKPBYRVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
-2.20
ALogP
9
HBA
3
HBD
187.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N4O8
MW 316.23
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 4.1 4.1 79900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 79900.0 nM 4.1 Antagonist activity on AMPA receptor expressed on rat motoneurons by its ability... 16302825

Literature References

PubMed DOI Target Context # Activities
16302825 10.1021/jm050584l Glutamate receptor ionotropic, AMPA 3
16302825 10.1021/jm050584l Glutamate receptor ionotropic, kainate 1 1
16302825 10.1021/jm050584l Glutamate receptor ionotropic, kainate 2 1

Data from ChEMBL 36 via Core Engine