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Compound Detail

CHEMBL68156

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FC(F)(F)c1cccc(C2(N3CC=CCC3)CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL68156
Phase Preclinical
Structure Type MOL
InChI Key JQKUSTCXZKCEAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
5.13
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22F3N
MW 309.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.22

Activity Summary

Ki 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 6.38 6.38 422.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2374147 10.1021/jm00170a027 Glutamate receptor ionotropic, NMDA 2C 1

Data from ChEMBL 36 via Core Engine