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Compound Detail

CHEMBL6002526

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CCC(O)Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3F)cc21

Basic Information

ChEMBL ID CHEMBL6002526
Phase Preclinical
Structure Type MOL
InChI Key GPZGIZRHGMSOFF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
2.75
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F2N3O2
MW 333.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.88

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