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

General Information of Drug (ID: DM5SQVC)

• Drug Name: 3-ammoniopropane-1-sulfinate Drug Info
• Synonyms: Homohypotaurine; 3-aminopropane-1-sulfinic acid; 25346-09-2; CHEMBL32102; 1-Propanesulfinic acid,3-amino-; 3-ammoniopropane-1-sulfinate; AC1L4VIZ; AC1Q6YOU; 3-aminopropylsulfinic acid; 3-Aminopropansulfinic acid; 3-amino-propane sulfinic acid; SCHEMBL341598; CTK4F5523; DTXSID30179995; NPGXQDBNBFXJKB-UHFFFAOYSA-N; MolPort-028-749-783; ZINC5410694; BDBM50087276; AKOS006338176; NE49789; 3-Amino-propane-1-sulfinic acid (Homohypotaurine)

Indication

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

• Cross-matching ID:
  PubChem CID: 193060
  CAS Number: CAS 25346-09-2
  TTD Drug ID: DM5SQVC

Molecule-Related Drug Atlas

Drug(s) Targeting Gamma-aminobutyric acid B receptor (GABBR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Gabapentin	DM6T924	Complex partial seizure	8A68.0	Approved	[2]
Gamma Hydroxybutyric Acid	DMGBKVD	Narcolepsy	7A20	Approved	[3]
Baclofen	DM0QV1J	Multiple sclerosis	8A40	Approved	[4]
Progabide	DM671NG	Depression	6A70-6A7Z	Approved	[5]
Arbaclofen placarbil	DMO628K	Fragile X syndrome	LD55	Phase 3	[6]
[3H](R)-(-)-baclofen	DMLRHM5	Multiple sclerosis	8A40	Phase 3	[7]
Arabaclofen	DMZB9RI	Fragile X syndrome	LD55	Phase 3	[8]
GSK683699	DMTW79H	Inflammatory bowel disease	DD72	Phase 2	[9]
SGS742	DM5XYFH	Schizophrenia	6A20	Phase 2	[10]
SSTarbaclofen	DMRGTZ2	Autism spectrum disorder	6A02	Phase 2	[11]

Drug(s) Targeting Gamma-aminobutyric acid receptor (GAR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenobarbital	DMXZOCG	Cluster headache	8A81.0	Approved	[12]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[13]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[14]
Clonazepam	DMTO13J	Absence epilepsy		Approved	[15]
Piperazine	DMTY9LU	Ascariasis	1F62	Approved	[16]
Alpidem	DMN7Y9K	Anxiety disorder	6B00-6B0Z	Approved	[17]
Moxidectin	DMYGHX5	Onchocerciasis	1F6A	Approved	[18]
DP-VPA	DMGOXPQ	Bipolar disorder	6A60	Approved	[19]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[13]
ZK-93423	DMFWMKZ	Epileptic seizures	8A61-8A6Z	Phase 3	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid B receptor (GABBR)	TTDCVZW	GABR1_HUMAN; GABR2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

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• [2] Gabapentin increases a tonic inhibitory conductance in hippocampal pyramidal neurons. Anesthesiology. 2006 Aug;105(2):325-33.
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [4] Synthesis and pharmacology of the baclofen homologues 5-amino-4-(4-chlorophenyl)pentanoic acid and the R- and S-enantiomers of 5-amino-3-(4-chlorop... J Med Chem. 1999 Jun 3;42(11):2053-9.
• [5] Interactions between dopamine and GABA in the control of ambulatory activity and neophobia in the mouse. Pharmacol Biochem Behav. 1998 Jan;59(1):239-47.
• [6] Arbaclofen placarbil, a novel R-baclofen prodrug: improved absorption, distribution, metabolism, and elimination properties compared with R-baclofen.J Pharmacol Exp Ther.2009 Sep;330(3):911-21.
• [7] 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. (Target id: 242).
• [8] Impact of acamprosate on behavior and brain-derived neurotrophic factor: an open-label study in youth with fragile X syndrome. Psychopharmacology (Berl). 2013 Jul;228(1):75-84.
• [9] 3-Thienyl- and 3-furylaminobutyric acids. Synthesis and binding GABAB receptor studies. J Med Chem. 1991 Aug;34(8):2557-60.
• [10] SGS742: the first GABA(B) receptor antagonist in clinical trials. Biochem Pharmacol. 2004 Oct 15;68(8):1479-87.
• [11] Reversal of disease-related pathologies in the fragile X mouse model by selective activation of GABAB receptors with arbaclofen. Sci Transl Med. 2012 Sep 19;4(152):152ra128.
• [12] DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
• [13] Neurosteroid analogues. 11. Alternative ring system scaffolds: gamma-aminobutyric acid receptor modulation and anesthetic actions of benz[f]indenes. J Med Chem. 2006 Jul 27;49(15):4595-605.
• [14] 3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
• [15] Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
• [16] Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
• [17] Synthesis and binding affinity of 2-phenylimidazo[1,2-alpha]pyridine derivatives for both central and peripheral benzodiazepine receptors. A new se... J Med Chem. 1997 Sep 12;40(19):3109-18.
• [18] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [19] DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
• [20] Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.