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Compound Detail

CHEMBL5774484

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CCC(=O)Cn1cc(F)c2ncc(-c3cccc(C(F)F)c3)cc21

Basic Information

ChEMBL ID CHEMBL5774484
Phase Preclinical
Structure Type MOL
InChI Key AYNZKPMWQUXKCK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
4.76
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F3N2O
MW 332.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
IC50 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine