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Compound Detail

CHEMBL466278

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CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466278
Phase Preclinical
Structure Type MOL
InChI Key LORYRGKPUUNITH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
3.26
ALogP
8
HBA
2
HBD
138.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O4
MW 448.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 24000.0 nM 4.62 Inhibition of voltage-gated sodium channel in Wistar rat forebrain synaptosomes ... 19341281

Literature References

PubMed DOI Target Context # Activities
19341281 10.1021/jm801180p Cytochrome P450 2D6 1
19341281 10.1021/jm801180p Unchecked 1
19341281 10.1021/jm801180p Hippocampus 1

Data from ChEMBL 36 via Core Engine