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

General Information of Drug (ID: DMCG6EK)

Drug Name

5-tert-Butyl-2-(4-ethynyl-phenyl)-[1,3]dithiane Drug Info

Synonyms

120076-03-1; 1,3-Dithiane, 5-(1,1-dimethylethyl)-2-(4-ethynylphenyl)-, trans-; ACMC-20mopv; CHEMBL90399; SCHEMBL8950548; CTK0F9221; DTXSID40625630; HKLYPSSDHPAOJM-UHFFFAOYSA-N; 2-(4-ethynylphenyl)-5-t-butyl-1,3-dithiane; 5-tert-Butyl-2-(4-ethynylphenyl)-1,3-dithiane

Indication

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

Cross-matching ID

PubChem CID: 22421021
CAS Number: CAS 120076-03-1
TTD Drug ID: DMCG6EK

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

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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	[2]
Allopregnanolone	DMNLHAC	Depression	6A70-6A7Z	approved	[3]
THIOCOLCHICOSIDE	DMEPWYA	Muscle spasm	MB47.3	Approved	[4]
Clonazepam	DMTO13J	Absence epilepsy		Approved	[5]
Piperazine	DMTY9LU	Ascariasis	1F62	Approved	[6]
Alpidem	DMN7Y9K	Anxiety disorder	6B00-6B0Z	Approved	[7]
Moxidectin	DMYGHX5	Onchocerciasis	1F6A	Approved	[8]
DP-VPA	DMGOXPQ	Bipolar disorder	6A60	Approved	[9]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[3]
ZK-93423	DMFWMKZ	Epileptic seizures	8A61-8A6Z	Phase 3	[10]
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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
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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References

1	Synthesis of carbon-11-, fluorine-18-, and iodine-125-labeled GABAA-gated chloride ion channel blockers: substituted 5-tert-butyl-2-phenyl-1,3-dith... J Med Chem. 1995 Jul 7;38(14):2663-71.
2	DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
3	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.
4	3-demethoxy-3-glycosylaminothiocolchicines: Synthesis of a new class of putative muscle relaxant compounds. J Med Chem. 2006 Sep 7;49(18):5571-7.
5	Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
6	Cyclooctadepsipeptides--an anthelmintically active class of compounds exhibiting a novel mode of action. Int J Antimicrob Agents. 2003 Sep;22(3):318-31.
7	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.
8	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
9	DP-VPA D-Pharm. Curr Opin Investig Drugs. 2002 Jun;3(6):921-3.
10	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.