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Compound Detail

CHEMBL425351

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O=C(NCc1ccccc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2C(F)(F)F)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425351
Phase Preclinical
Structure Type MOL
InChI Key UKZLGISIUDUJFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.4
MW (Da)
3.66
ALogP
8
HBA
3
HBD
139.5
PSA (Ų)
0.37
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 C22H16F3N5O5
MW 487.39
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 Ki 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA Ki = 190.0 nM 6.72 Displacement of [3H]AMPA (5 nM) from ionotropic glutamate receptor AMPA of rat c... 15380209

Literature References

PubMed DOI Target Context # Activities
15380209 10.1016/j.bmcl.2004.07.093 Glutamate receptor ionotropic, AMPA 1
15380209 10.1016/j.bmcl.2004.07.093 Glutamate receptors; NMDA/AMPA 1

Data from ChEMBL 36 via Core Engine