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

General Information of Drug (ID: DMMCI4H)

• Drug Name: HELENALIN Drug Info
• Synonyms: HELENALIN; 6754-13-8; PF 56; Helenalin A; HSDB 3490; NSC85236; UNII-4GUY9L896T; NSC 85236; BRN 0028081; MLS000728512; CHEBI:5635; 4GUY9L896T; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone; SMR000445626; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone; (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3
• Cross-matching ID:
  PubChem CID: 23205
  ChEBI ID: CHEBI:5635
  CAS Number: CAS 6754-13-8
  TTD Drug ID: DMMCI4H

Molecule-Related Drug Atlas

Drug(s) Targeting Angiotensin II receptor type-1 (AGTR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Losartan	DM72JXH	Hypertension	BA00-BA04	Approved	[3]
Olmesartan medoxomil	DMWBHRY	High blood pressure	BA00	Approved	[4]
Irbesartan	DMTP1DC	Hypertension	BA00-BA04	Approved	[3]
Valsartan	DMREUQ6	Hypertension	BA00-BA04	Approved	[3]
Candesartan	DMRK8OT	Hypertension	BA00-BA04	Approved	[5]
Telmisartan	DMS3GX2	Hypertension	BA00-BA04	Approved	[6]
Angiotensin Ii	DMLWQ27	Increase blood pressure	BA04	Approved	[7]
SARALASIN	DMKS1DV	Hypertension	BA00-BA04	Approved	[8]
Tasosartan	DMM13DI	Hypertension	BA00-BA04	Approved	[9]
Eprosartan	DM07K2I	Hypertension	BA00-BA04	Approved	[10]

Drug(s) Targeting Nuclear factor NF-kappa-B (NFKB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sulfasalazine	DMICA9H	Irritable bowel syndrome	DD91.0	Approved	[11]
Triptolide	DMCMDVR	Autoimmune diabetes	5A10	Phase 3	[12]
Laquinimod	DM3IWS8	Lupus	4A40	Phase 3	[13]
Edasalonexent	DMYVBF6	Duchenne dystrophy	8C70	Phase 3	[14]
MD1003	DMVZ57G	Multiple sclerosis	8A40	Phase 3	[14]
Vadimezan	DMK7CYX	Solid tumour/cancer	2A00-2F9Z	Phase 2	[15]
CAT 1004	DMQBP7R	Duchenne dystrophy	8C70	Phase 2	[16]
Parthenolide	DMCQBFT	N. A.	N. A.	Phase 2	[17]
Recoflavone	DMCSR8I	Inflammatory bowel disease	DD72	Phase 2	[18]
CZEN-002	DMUDMHA	Fungal infection	1F29-1F2F	Phase 2	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensin II receptor type-1 (AGTR1)	TT8DBY3	AGTR1_HUMAN	Inhibitor	[1]
Nuclear factor NF-kappa-B (NFKB)	TTSXVID	NFKB1_HUMAN; NFKB2_HUMAN; TF65_HUMAN; RELB_HUMAN; REL_HUMAN	Inhibitor	[2]

References

• [1] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [2] Quantitative structure-activity relationship of sesquiterpene lactones as inhibitors of the transcription factor NF-kappaB. J Med Chem. 2004 Nov 18;47(24):6042-54.
• [3] Radioligand binding assays: application of [(125)I]angiotensin II receptor binding. Methods Mol Biol. 2009;552:131-41.
• [4] Mechanism of diastolic stiffening of the failing myocardium and its prevention by angiotensin receptor and calcium channel blockers. J Cardiovasc Pharmacol. 2009 Jul;54(1):47-56.
• [5] Candesartan: widening indications for this angiotensin II receptor blocker Expert Opin Pharmacother. 2009 Aug;10(12):1995-2007.
• [6] Deletion of angiotensin II type I receptor reduces hepatic steatosis. J Hepatol. 2009 Jun;50(6):1226-35.
• [7] The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1. J Med Chem. 2010 Mar 11;53(5):2063-75.
• [8] Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.
• [9] Tasosartan, enoltasosartan, and angiotensin II receptor blockade: the confounding role of protein binding. J Pharmacol Exp Ther. 2000 Nov;295(2):649-54.
• [10] Clinical profile of eprosartan: a different angiotensin II receptor blocker. Cardiovasc Hematol Agents Med Chem. 2008 Oct;6(4):253-7.
• [11] Emerging drugs for rheumatoid arthritis. Expert Opin Emerg Drugs. 2008 Mar;13(1):175-96.
• [12] Functional p53 is required for triptolide-induced apoptosis and AP-1 and nuclear factor-kappaB activation in gastric cancer cells. Oncogene. 2001 Nov 29;20(55):8009-18.
• [13] Reduced astrocytic NF- B activation by laquinimod protects from cuprizone-induced demyelination. Acta Neuropathol. 2012 Sep;124(3):411-24.
• [14] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [15] Auckland Cancer Society Research Centre report
• [16] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [17] Hypoxia-induced neutrophil survival is mediated by HIF-1alpha-dependent NF-kappaB activity. J Exp Med. 2005 Jan 3;201(1):105-15.
• [18] DA-6034, a derivative of flavonoid, prevents and ameliorates dextran sulfate sodium-induced colitis and inhibits colon carcinogenesis. Exp Biol Med (Maywood). 2008 Feb;233(2):180-91.
• [19] US patent application no. US20100278784 A1.