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

General Information of Drug (ID: DMCQBFT)

• Drug Name: Parthenolide Drug Info
• Synonyms: parthenolide; 20554-84-1; (-)-Parthenolide; CHEBI:7939; Parthenolide, Tanacetum parthenium; 4,5-alpha-Epoxy-6-beta-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone; partenolide; C15H20O3; 29552-41-8; Prestwick2_000550; Prestwick3_000550; Epitope ID:115014; SCHEMBL8220; BSPBio_001308; BSPBio_000599; MLS002153872; CHEMBL465158; BPBio1_000659; SCHEMBL13367522; BCBcMAP01_000041; Parthenolide, > MolPort-008-268-168; MolPort-003-959-089; HMS1361B10; HMS3402B10; HMS1989B10; HMS1791B10; HMS1569N21; HMS2096N21
• Cross-matching ID:
  PubChem CID: 7251185
  ChEBI ID: CHEBI:7939
  CAS Number: CAS 20554-84-1
  TTD Drug ID: DMCQBFT

Molecule-Related Drug Atlas

Drug(s) Targeting Inhibitor of nuclear factor kappa-B kinase beta (IKKB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[3]
SAR-113945	DMMCA9V	Osteoarthritis	FA00-FA05	Phase 2	[4]
IMD-1041	DMU1MR9	Alzheimer disease	8A20	Phase 2	[5]
IMD-0354	DMOFSLE	Acne vulgaris	ED80	Phase 1	[6]
MLN0415	DMG72VK	Arthritis	FA20	Discontinued in Phase 1	[7]
PF-228	DM32FKD	Discovery agent	N.A.	Investigative	[8]
5-Bromo-6-methoxy-9H-beta-carboline	DM157OQ	Discovery agent	N.A.	Investigative	[9]
Staurosporine	DM0E9BR	Discovery agent	N.A.	Investigative	[10]
5-amino-2-phenyl-oxazole-4-carboxylic acid amide	DMX37ZC	Discovery agent	N.A.	Investigative	[11]
5-amino-2-p-tolyl-oxazole-4-carboxylic acid amide	DM4SWJ7	Discovery agent	N.A.	Investigative	[11]

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	[12]
Triptolide	DMCMDVR	Autoimmune diabetes	5A10	Phase 3	[13]
Laquinimod	DM3IWS8	Lupus	4A40	Phase 3	[14]
Edasalonexent	DMYVBF6	Duchenne dystrophy	8C70	Phase 3	[15]
MD1003	DMVZ57G	Multiple sclerosis	8A40	Phase 3	[15]
Vadimezan	DMK7CYX	Solid tumour/cancer	2A00-2F9Z	Phase 2	[16]
CAT 1004	DMQBP7R	Duchenne dystrophy	8C70	Phase 2	[17]
Recoflavone	DMCSR8I	Inflammatory bowel disease	DD72	Phase 2	[18]
CZEN-002	DMUDMHA	Fungal infection	1F29-1F2F	Phase 2	[19]
XP-23829	DMELUYN	Multiple sclerosis	8A40	Phase 2	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	TTJ3E9X	IKKB_HUMAN	Inhibitor	[1]
Nuclear factor NF-kappa-B (NFKB)	TTSXVID	NFKB1_HUMAN; NFKB2_HUMAN; TF65_HUMAN; RELB_HUMAN; REL_HUMAN	Inhibitor	[2]

References

• [1] The anti-inflammatory natural product parthenolide from the medicinal herb Feverfew directly binds to and inhibits IkappaB kinase. Chem Biol. 2001 Aug;8(8):759-66.
• [2] Hypoxia-induced neutrophil survival is mediated by HIF-1alpha-dependent NF-kappaB activity. J Exp Med. 2005 Jan 3;201(1):105-15.
• [3] How acute promyelocytic leukaemia revived arsenic. Nat Rev Cancer. 2002 Sep;2(9):705-13.
• [4] The NF B pathway: a therapeutic target in glioblastoma. Oncotarget. 2011 August; 2(8): 646-653.
• [5] Inhibition of I B phosphorylation prevents load-induced cardiac dysfunction in mice. Am J Physiol Heart Circ Physiol. 2012 Dec 15;303(12):H1435-45.
• [6] I B kinase beta inhibitor IMD-0354 suppresses airway remodelling in a Dermatophagoides pteronyssinus-sensitized mouse model of chronic asthma. Clin Exp Allergy. 2011 Jan;41(1):104-15.
• [7] Company report (Millennium)
• [8] Cellular characterization of a novel focal adhesion kinase inhibitor. J Biol Chem. 2007 May 18;282(20):14845-52.
• [9] Novel IKK inhibitors: beta-carbolines. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2419-22.
• [10] UCN-01: a potent abrogator of G2 checkpoint function in cancer cells with disrupted p53. J Natl Cancer Inst. 1996 Jul 17;88(14):956-65.
• [11] Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem. 2006 May 18;49(10):2898-908.
• [12] Emerging drugs for rheumatoid arthritis. Expert Opin Emerg Drugs. 2008 Mar;13(1):175-96.
• [13] 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.
• [14] Reduced astrocytic NF- B activation by laquinimod protects from cuprizone-induced demyelination. Acta Neuropathol. 2012 Sep;124(3):411-24.
• [15] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [16] Auckland Cancer Society Research Centre report
• [17] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [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.
• [20] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800036491)