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Compound Detail

CHEMBL6023281

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O=C(Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21)NC1CC(F)(F)C1

Basic Information

ChEMBL ID CHEMBL6023281
Phase Preclinical
Structure Type MOL
InChI Key JAEZJXWQBMISRL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
3.32
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F5N4O2
MW 426.35
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.46

Activity Summary

IC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
IC50 8.15 8.15 7.0 1
Glutamate NMDA receptor; GRIN1/GRIN2B
CHEMBL1907603
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine