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Compound Detail

CHEMBL75761

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CCOC(=O)CN(C)Cc1c(CC)c([N+](=O)[O-])cc2nc(O)c(O)nc12

Basic Information

ChEMBL ID CHEMBL75761
Phase Preclinical
Structure Type MOL
InChI Key DVKDTKVRVXOOED-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.51
ALogP
9
HBA
2
HBD
138.9
PSA (Ų)
0.42
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 C16H20N4O6
MW 364.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 4 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 6.85 6.325 140.0 2
Unchecked
CHEMBL612545
IC50 6.33 6.33 470.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.8 5.8 1590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic AMPA 2
10377233 10.1021/jm980455n Glutamate receptor ionotropic, AMPA 1
10377233 10.1021/jm980455n Unchecked 1
10377233 10.1021/jm980455n No relevant target 1
34998058 10.1016/j.ejmech.2021.114085 No relevant target 1
35033884 10.1016/j.bmc.2022.116614 No relevant target 1
35033884 10.1016/j.bmc.2022.116614 Glutamate receptor ionotropic AMPA 1
35033884 10.1016/j.bmc.2022.116614 Unchecked 1

Data from ChEMBL 36 via Core Engine