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Compound Detail

CHEMBL5818547

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CCC(=O)Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(F)c3)cc21

Basic Information

ChEMBL ID CHEMBL5818547
Phase Preclinical
Structure Type MOL
InChI Key ZVWIBKKJBGKHSM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
2.65
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F2N3O2
MW 317.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.29

Activity Summary

IC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
IC50 8.4 8.4 4.0 1
Glutamate NMDA receptor; GRIN1/GRIN2B
CHEMBL1907603
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine