Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL313638

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)c1nc2c(O)nc3cc(C(F)(F)F)c(N)cc3n2n1

Basic Information

ChEMBL ID CHEMBL313638
Phase Preclinical
Structure Type MOL
InChI Key GBMMVXNZDSANAE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.2
MW (Da)
1.76
ALogP
8
HBA
2
HBD
115.6
PSA (Ų)
0.54
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 C13H10F3N5O3
MW 341.25
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.26

Activity Summary

Ki 2 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 5.26 5.26 5500.0 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14695840 10.1021/jm030906q Glutamate receptor ionotropic, AMPA 1
14695840 10.1021/jm030906q Glutamate receptor ionotropic, NMDA 1 1
14695840 10.1021/jm030906q Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine