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

CHEMBL391389

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
FC(F)(F)Oc1ccc(C2=NCCCC(c3ccccc3)N2)cc1

Basic Information

ChEMBL ID CHEMBL391389
Phase Preclinical
Structure Type MOL
InChI Key WVZIJRDHBAWNCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
4.46
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F3N2O
MW 334.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.44

Activity Summary

Ki 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
Ki 5.38 5.38 4197.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2B Ki = 4197.0 nM 5.38 Binding affinity to NMDA NR2B receptor 17498948

Literature References

PubMed DOI Target Context # Activities
17498948 10.1016/j.bmcl.2007.04.084 Glutamate receptor ionotropic, NMDA 2B 1

Data from ChEMBL 36 via Core Engine