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Compound Detail

CHEMBL6052565

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CN(C)C(=O)Cn1c(=O)n(C)c2ncc(-c3csc(C(F)F)c3)cc21

Basic Information

ChEMBL ID CHEMBL6052565
Phase Preclinical
Structure Type MOL
InChI Key KNCORNNLLGPEEH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.49
ALogP
6
HBA
0
HBD
60.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F2N4O2S
MW 366.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.85

Activity Summary

IC50 2 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
IC50 7.82 7.82 15.0 1
Glutamate NMDA receptor; GRIN1/GRIN2B
CHEMBL1907603
IC50 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine