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Compound Detail

CHEMBL27653

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O=[N+]([O-])c1cc2nc(O)c(O)nc2nc1-n1ccnc1

Basic Information

ChEMBL ID CHEMBL27653
Phase Preclinical
Structure Type MOL
InChI Key OCEDPPPKQBHDND-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

274.2
MW (Da)
0.53
ALogP
9
HBA
2
HBD
140.1
PSA (Ų)
0.51
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 C10H6N6O4
MW 274.20
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.44

Activity Summary

Ki 5 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.85 6.85 140.0 2
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 6.85 5.925 140.0 2
Glutamate receptor-interacting protein 1
CHEMBL2366484
Ki 6.85 6.85 140.0 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
9207947 10.1021/jm960664c Glutamate receptor ionotropic, AMPA 1
8632440 10.1021/jm950304+ Glutamate receptor ionotropic, AMPA 1
8632440 10.1021/jm950304+ Glutamate receptor ionotropic, NMDA 1 1
- 10.1007/s00044-012-9972-6 Mus musculus 1
- 10.1007/s00044-012-9972-6 Glutamate receptor-interacting protein 1 1

Data from ChEMBL 36 via Core Engine