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Compound Detail

CHEMBL3928399

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COc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(OC)c1

Basic Information

ChEMBL ID CHEMBL3928399
Phase Preclinical
Structure Type MOL
InChI Key UTMAVNADNBZGJF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
3.94
ALogP
7
HBA
2
HBD
129.8
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 C24H21N3O6S
MW 479.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.41

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL4017
IC50 7.58 7.58 26.0 1
Unchecked
CHEMBL612545
IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine