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

General Information of Drug (ID: DMKMTDG)

• Drug Name: Balovaptan Drug Info
• Synonyms: 1228088-30-9; UNII-RAX5D5AGV6; RG7314; RAX5D5AGV6; RO5285119; 8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; 8-chloro-5-methyl-1-{trans-4-[(pyridin-2-yl)oxy]cyclohexyl}-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; Balovaptan [INN]; Balovaptan [USAN]; Balovaptan (USAN/INN); Balovaptan [USAN:INN]; SCHEMBL2471320; SCHEMBL3329710; SCHEMBL3332136; CHEMBL4297183; GTPL10615; compound 1 [PMID: 31951127]; DB14823; RG-7314; SB19643; Ro-5285119; BS-14780; HY-109024; CS-0030526; D11476; 12-chloro-8-methyl-3-[(1r,4r)-4-(pyridin-2-yloxy)cyclohexyl]-2,4,5,8-tetraazatricyclo[8.4.0.0,tetradeca-1(10),3,5,11,13-pentaene; 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-5,6-dihydro-5-methyl-1-(trans-4-(2-pyridinyloxy)cyclohexyl)-; 8-Chloro-5-methyl-1-(trans-4-(2-pyridinyloxy)cyclohexyl)-5,6-dihydro-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine

Indication

Disease Entry	ICD 11	Status	REF
Autism spectrum disorder	6A02	Phase 3	[1]

• Cross-matching ID:
  PubChem CID: 46200932
  CAS Number: CAS 1228088-30-9
  TTD Drug ID: DMKMTDG

Molecule-Related Drug Atlas

Drug(s) Targeting Vasopressin V1a receptor (V1AR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Desmopressin	DMS3GVE	Diabetic complication	5A2Y	Approved	[3]
Mozavaptan	DMZ905C	Hyponatraemia	5C72	Approved	[4]
Oxytocin	DMDL27I	Autism spectrum disorder	6A02	Approved	[5]
Conivaptan	DM1V329	Euvolemic hyponatremia	5C72	Approved	[6]
Felypressin	DMHLP9C	Localisation	N.A.	Approved	[7]
Terlipressin	DMT9FH3	Hypertension	BA00-BA04	Approved	[8]
ATOSIBAN	DMB7WYM	N. A.	N. A.	Phase 4	[9]
PMX-53	DMZUAJ4	Atopic dermatitis	EA80	Phase 2	[10]
SSR149415	DMCMD93	Anxiety disorder	6B00-6B0Z	Phase 2	[11]
VA-111913	DMAYWXD	Dysmenorrhea	GA34.3	Phase 2	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vasopressin V1a receptor (V1AR)	TT4TFGN	V1AR_HUMAN	Antagonist	[2]

References

• [1] ClinicalTrials.gov (NCT03504917) A Study of Balovaptan in Adults With Autism Spectrum Disorder With a 2-Year Open-Label Extension. U.S. National Institutes of Health.
• [2] Discovery of Balovaptan, a Vasopressin 1a Receptor Antagonist for the Treatment of Autism Spectrum Disorder. J Med Chem. 2020 Feb 27;63(4):1511-1525.
• [3] Design of potent and selective agonists for the human vasopressin V1b receptor based on modifications of [deamino-cys1]arginine vasopressin at position 4. J Med Chem. 2004 Apr 22;47(9):2375-88.
• [4] Nonpeptide vasopressin antagonists: a new group of hormone blockers entering the scene. Exp Clin Endocrinol Diabetes. 1999;107(3):157-65.
• [5] Mapping peptide-binding domains of the human V1a vasopressin receptor with a photoactivatable linear peptide antagonist. J Biol Chem. 1997 Oct 17;272(42):26536-44.
• [6] Acute hemodynamic effects of conivaptan, a dual V(1A) and V(2) vasopressin receptor antagonist, in patients with advanced heart failure. Circulation. 2001 Nov 13;104(20):2417-23.
• [7] Peptide and non-peptide agonists and antagonists for the vasopressin and oxytocin V1a, V1b, V2 and OT receptors: research tools and potential therapeutic agents. Prog Brain Res. 2008;170:473-512.
• [8] Investigational vasopressin receptor modulators in the pipeline. Expert Opin Investig Drugs. 2009 Aug;18(8):1119-31.
• [9] The discovery of GSK221149A: a potent and selective oxytocin antagonist. Bioorg Med Chem Lett. 2008 Jan 1;18(1):90-4.
• [10] Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92.
• [11] Tetrahydroquinoline sulfonamides as vasopressin 1b receptor antagonists. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6018-22.
• [12] Clinical pipeline report, company report or official report of Avarx.