Details of the Drug

General Information of Drug (ID: DMLJ634)

Drug Name

Sodium lauryl sulfate

Synonyms

Anticerumen; Dreft; Dupanal; Duponal; Duponol; Gardinol; Irium; NALS; Natriumlaurylsulfat; Neutrazyme; SDS; SLS; Syntapon; WAQE; Akyposal SDS; Aquarex ME; Aquarex methyl; Carsonol SLS; Carsonol SLS Paste B; Carsonol SLS Special; Conco Sulfate WAG; Conco Sulfate WAN; Conco Sulfate WAS; Conco sulfate WA; Conco sulfate WN; DODECYL SULFATE; Dupanol WAQ; Duponal WAQE; Duponol C; Duponol Me; Duponol QC; Duponol WA; Duponol WA dry; Duponol WAQ; Duponol WAQE; Duponol WAQM; Duponol methyl; Duponol qx; Duponol waqa; EMAL O; Empicol LPZ; Hexamol SLS; Incronol SLS; Laurylsiran sodny; Lauyl sodium sulfate; Maprobix NEU; Maprofix LK; Maprofix NEU; Maprofix WAC; Melanol CL; Montopol La Paste; Nikkol SLS; Orvus WA Paste; Perlandrol L; Perlankrol L; Richonol A; Richonol C; Richonol af; SDS Running Buffer; Sintapon L; Sipex OP; Sipex SP; Sipex UB; Sipex sb; Sipex sd; Sipon LS; Sipon LSB; Sipon PD; Sipon WD; Sodium Laurylsulfate; Solsol needles; Standapol WAQ; Stepanol ME; Stepanol ME Dry AW; Stepanol WA; Stepanol WA Paste; Stepanol me dry; Stepanol methyl; Stepanol wac; Stepanol waq; Sterling wa paste; Sulfotex wa; Texapon DL; Trepenol WA; Avirol 101; Avirol 118; Avirol 118 conc; Berol 452; CP 75424; Cycloryl 21; Cycloryl 31; Cycloryl 580; Cycloryl 585N; Detergent 66; Emal 10; Emersal 6400; Empicol LS 30; Empicol LX 28; Finasol osr2; MP SILICA RP 18; Maprofix 563; Melanol CL 30; Monagen Y 100; Monogen Y 100; Odoripon Al 95; Perklankrol ESD 60; Rewopol NLS 30; Sinnopon LS 100; Sinnopon LS 95; Sipon LS 100; Standapol 112; Standapol 112 conc; Standapol was 100; Steinapol NLS 90; Stepanol T 28; Sulfetal L 95; Sulfopon wa 1; Swascol 3L; Tarapon K 12; Tvm 474; Emulsifier no. 104; Finasol osr(sub 2); IPC-SDS;Jordanol SL-300; Lanette Wax-S; Maprofix WAC-LA; Product no. 161; Product no. 75; Quolac EX-UB; S-4600; Standapol wa-ac; Stepanol WA-100; Sterling WAQ-CH; Ultra sulfate sl-1

Indication

Disease Entry	ICD 11	Status	REF
Constipation	DD91.1	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

288.38

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

12

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C12H25NaO4S
IUPAC Name: sodium;dodecyl sulfate
Canonical SMILES: CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKey: DBMJMQXJHONAFJ-UHFFFAOYSA-M

Cross-matching ID

PubChem CID: 3423265
ChEBI ID: CHEBI:8984
CAS Number: 151-21-3
DrugBank ID: DB00815
TTD ID: D05ATI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serum albumin (ALB)	TTFNGC9	ALBU_HUMAN	Binder	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
6-phosphogluconate dehydrogenase, decarboxylating (PGD)	OTVG296F	6PGD_HUMAN	Gene/Protein Processing	[3]
A disintegrin and metalloproteinase with thrombospondin motifs 3 (ADAMTS3)	OT2U6VF5	ATS3_HUMAN	Gene/Protein Processing	[4]
Abnormal spindle-like microcephaly-associated protein (ASPM)	OTKXQMNA	ASPM_HUMAN	Gene/Protein Processing	[4]
Acetyl-CoA carboxylase 2 (ACACB)	OT96UIP1	ACACB_HUMAN	Drug Response	[5]
Acyl-protein thioesterase 1 (LYPLA1)	OTENU47T	LYPA1_HUMAN	Gene/Protein Processing	[6]
Adenylate kinase 8 (AK8)	OT2UF6YM	KAD8_HUMAN	Gene/Protein Processing	[4]
Adenylosuccinate synthetase isozyme 2 (ADSS2)	OTW26XXB	PURA2_HUMAN	Gene/Protein Processing	[4]
Adhesion G protein-coupled receptor E5 (ADGRE5)	OTTSB84Q	AGRE5_HUMAN	Gene/Protein Processing	[4]
Adhesion G-protein coupled receptor G2 (ADGRG2)	OTPAD5S1	AGRG2_HUMAN	Gene/Protein Processing	[4]
ADP-ribosylation factor GTPase-activating protein 2 (ARFGAP2)	OTIP5ZJ7	ARFG2_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Constipation

ICD Disease Classification

DD91.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serum albumin (ALB)	DTT	ALB	7.92E-01	-0.07	-0.44

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Drug information of Sodium lauryl sulfate, 2008. eduDrugs.
2	Some properties of the interaction between 2,2'-diselenadibenzoic acid and serum albumins. J Pharm Biomed Anal. 2005 Sep 1;39(1-2):263-7.
3	Keratinocyte gene expression profiles discriminate sensitizing and irritating compounds. Toxicol Sci. 2010 Sep;117(1):81-9.
4	CXCL14 downregulation in human keratinocytes is a potential biomarker for a novel in vitro skin sensitization test. Toxicol Appl Pharmacol. 2020 Jan 1;386:114828. doi: 10.1016/j.taap.2019.114828. Epub 2019 Nov 14.
5	Genetic Basis of Irritant Susceptibility in Health Care Workers. J Occup Environ Med. 2016 Aug;58(8):753-9. doi: 10.1097/JOM.0000000000000784.
6	Identification of potential biomarkers for predicting acute dermal irritation by proteomic analysis. J Appl Toxicol. 2011 Nov;31(8):762-72.