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Compound Detail

CHEMBL556120

SODIUM DECYL SULFATE
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CCCCCCCCCCOS(=O)(=O)[O-].[Na+]

Basic Information

ChEMBL ID CHEMBL556120
Name SODIUM DECYL SULFATE
Phase Preclinical
Structure Type MOL
InChI Key XZTJQQLJJCXOLP-UHFFFAOYSA-M
Parent Compound CHEMBL1208321
Active Moiety CHEMBL1208321
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
2.95
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H21NaO4S
MW 260.33
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.79

Activity Summary

IC50 1 meas.
Ki 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 21000.0 nM 4.68 Displacement of C18-Aib-lucifer yellow from HIV1 envelope glycoprotein gp41 Fe(e... 19534533

Literature References

PubMed DOI Target Context # Activities
19534533 10.1021/jm900190q Unchecked 1
19534533 10.1021/jm900190q No relevant target 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine