Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMQH481)

Drug Name

alkylbenzene sulfonate Drug Info

Synonyms

4-dodecan-6-ylbenzenesulfonic Acid; Alkylbenzene sulfonate; AC1Q6WLV; AC1L28EL; 6-(p-sulfophenyl) dodecane; SCHEMBL6128184; GTPL2362; DTXSID30860093; 4-(dodecan-6-yl)benzenesulfonic acid; 4-(1-Hexylhexyl)benzenesulfonic acid; 4-(Dodecan-6-yl)benzene-1-sulfonic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 16652
CAS Number: CAS 23003-92-1
TTD Drug ID: DMQH481

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Discontinued Drug(s)

Investigative Drug(s)

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Drug(s) Targeting Glycine receptor (GlyR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[3]
ZD-9379	DM3KYO4	Cerebrovascular ischaemia	8B1Z	Phase 1	[4]
UK-240455	DMSCXB7	Nerve injury	ND56.4	Phase 1	[5]
MDL-27531	DMC60S8	Epilepsy	8A60-8A68	Phase 1	[6]
Gavestinel	DM8IL1U	Nerve injury	ND56.4	Discontinued in Phase 2	[7]
GV-196771	DMFN21T	Migraine	8A80	Discontinued in Phase 2	[8]
GW 468816	DMQ92WF	Tobacco dependence	6C4A.2	Discontinued in Phase 2	[9]
M-241247	DMIY51U	Cerebrovascular ischaemia	8B1Z	Terminated	[10]
GINKOLIDE B	DMLIM7B	Sepsis	1G40-1G41	Terminated	[11]
3-demethoxy-3-D-lyxopyranosylaminothiocolchicine	DME8VPC	Discovery agent	N.A.	Investigative	[3]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycine receptor (GlyR)	TTZ8EM9	GLRA1_HUMAN; GLRA2_HUMAN; GLRA3_HUMAN; GLRA4_HUMAN; GLRB_HUMAN	Not Available	[2]

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2362).
2	Selective actions of a detergent on ligand-gated ion channels expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1998 Jan;284(1):32-6.
3	3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
4	Neuroprotective potential of ionotropic glutamate receptor antagonists. Neurotox Res. 2002 Mar;4(2):119-26.
5	UK-315716/UK-240455. Pfizer. Curr Opin Investig Drugs. 2001 Dec;2(12):1737-9.
6	MDL 27,531 reduces spontaneous hindlimb contractions in rats with chronic transections of the spinal cord. Neurosci Lett. 1992 Nov 23;147(1):101-5.
7	Glycine antagonist (gavestinel) in neuroprotection (GAIN International) in patients with acute stroke: a randomised controlled trial.GAIN International Investigators.Lancet.2000 Jun 3;355(9219):1949-54.
8	First time in human for GV196771: interspecies scaling applied on dose selection. J Clin Pharmacol. 1999 Jun;39(6):560-6.
9	A double-blind, placebo-controlled trial of the NMDA glycine site antagonist, GW468816, for prevention of relapse to smoking in females.J Clin Psychopharmacol.2011 Oct;31(5):597-602.
10	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003415)
11	Probing the pharmacophore of ginkgolides as glycine receptor antagonists. J Med Chem. 2007 Apr 5;50(7):1610-7.