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Compound Detail

CHEMBL3400469

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CN(c1ccc(C(F)(F)F)cc1)c1nc(=O)c2cccnc2s1

Basic Information

ChEMBL ID CHEMBL3400469
Phase Preclinical
Structure Type MOL
InChI Key NORXVEJISSNPSL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
3.84
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10F3N3OS
MW 337.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuron
CHEMBL613705
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuron IC50 = 2000.0 nM 5.7 Inhibition of kainate-induced neurotoxicity in primary rat hippocampal neurons a... 25792143

Literature References

PubMed DOI Target Context # Activities
25792143 10.1016/j.bmc.2015.02.033 Neuron 1

Data from ChEMBL 36 via Core Engine