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Compound Detail

CHEMBL268709

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O=C(NCc1ccn(-c2cc3nc(O)c(O)nc3cc2[N+](=O)[O-])c1)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL268709
Phase Preclinical
Structure Type MOL
InChI Key HYXRLESSUQXLHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.06
ALogP
8
HBA
4
HBD
155.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N6O5
MW 420.39
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.44

Activity Summary

Ki 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 250.0 nM 6.6 Displacement of [3H]AMPA from AMPA receptor -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic, NMDA 2C 1
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic kainate 1
- 10.1016/S0960-894X(97)00170-4 Mus musculus 1

Data from ChEMBL 36 via Core Engine