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Compound Detail

CHEMBL462322

SODIUM OCTADECYL SULFATE
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CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]

Basic Information

ChEMBL ID CHEMBL462322
Name SODIUM OCTADECYL SULFATE
Phase Preclinical
Structure Type MOL
InChI Key NWZBFJYXRGSRGD-UHFFFAOYSA-M
Parent Compound CHEMBL405591
Active Moiety CHEMBL405591
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.6
MW (Da)
6.07
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H37NaO4S
MW 372.55
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.52

Activity Summary

Ki 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 330.0 nM 6.48 Displacement of C18-Aib-lucifer yellow from HIV1 envelope glycoprotein gp41 Fe(e... 19534533

Literature References

PubMed DOI Target Context # Activities
11430005 10.1021/np000438c WEHI-164 1
19534533 10.1021/jm900190q Unchecked 1
19534533 10.1021/jm900190q No relevant target 1

Data from ChEMBL 36 via Core Engine