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Compound Detail

CHEMBL511217

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O=S(=O)(NCc1noc(-c2nn(Cc3ccccc3)c3ccccc23)n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511217
Phase Preclinical
Structure Type MOL
InChI Key ZVECNIITUSVRGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.61
ALogP
7
HBA
1
HBD
102.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N5O3S
MW 445.50
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.88

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5000.0 nM 5.3 Inhibition of voltage-gated sodium channel in Wistar rat forebrain synaptosomes ... 19341281

Literature References

PubMed DOI Target Context # Activities
19341281 10.1021/jm801180p Unchecked 1
19341281 10.1021/jm801180p Hippocampus 1

Data from ChEMBL 36 via Core Engine