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Compound Detail

CHEMBL5846426

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CCc1cccc(-c2cnc3c(F)cn(CC(=O)N4CC(F)C4)c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5846426
Phase Preclinical
Structure Type MOL
InChI Key NXLHUWMBYXZFRF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.59
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F2N3O
MW 355.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.34

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

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2B IC50 = 15.8 nM 7.8 Inhibition of Specific Binding to the Rat NR1/NR2B Receptor: The assay depends o... -

Data from ChEMBL 36 via Core Engine