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Compound Detail

CHEMBL3984416

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O=C(COc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3984416
Phase Preclinical
Structure Type MOL
InChI Key CFNBPEGBZCBXIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.0
MW (Da)
4.77
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.40
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 C21H16ClN3O4S2
MW 473.96
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.27

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated sodium channel
CHEMBL3988641
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated sodium channel IC50 = 5000.0 nM 5.3 Inhibition of NaV channel in rat DRG neurons under holding potential at -60 mV b... -

Data from ChEMBL 36 via Core Engine