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Compound Detail

CHEMBL382687

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N[C@@H](Cn1cc(I)c(=O)n(CCc2nn[nH]n2)c1=O)C(=O)O

Basic Information

ChEMBL ID CHEMBL382687
Phase Preclinical
Structure Type MOL
InChI Key GPDSXOXHAZVQJE-LURJTMIESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

421.2
MW (Da)
-2.22
ALogP
9
HBA
3
HBD
161.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12IN7O4
MW 421.16
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.43 5.43 3730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16610801 10.1021/jm051086f Glutamate receptor ionotropic, kainate 5 1
16610801 10.1021/jm051086f Glutamate receptor ionotropic, AMPA 1
16610801 10.1021/jm051086f Glutamate receptor ionotropic, kainate 2 1

Data from ChEMBL 36 via Core Engine