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

General Information of Drug (ID: DMMPOEK)

• Drug Name: alpha-ergocryptine Drug Info
• Synonyms: Ergocryptine; alpha-Ergocryptine; Ergocryptine-alpha; 511-09-1; UNII-6WFB60157B; alpha-Ergokryptine; NSC 169479; CHEMBL1403281; CHEBI:10276; YDOTUXAWKBPQJW-NSLWYYNWSA-N; 12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione; 6WFB60157B; EINECS 208-121-2; 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione; 12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; BRN 0078810; 12'-Hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotaman-3',6',18-trione

Indication

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

• Cross-matching ID:
  PubChem CID: 134551
  ChEBI ID: CHEBI:10276
  CAS Number: CAS 511-09-1
  TTD Drug ID: DMMPOEK

Molecule-Related Drug Atlas

Drug(s) Targeting 5-HT 6 receptor (HTR6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LU AE58054	DMWGRQD	Schizophrenia	6A20	Phase 3	[4]
SB-742457	DM6L4ZT	Alzheimer disease	8A20	Phase 3	[5]
AVN 211	DMVB4OS	Schizophrenia	6A20	Phase 2/3	[6]
SYN120	DMDF7XB	Parkinson disease	8A00.0	Phase 2	[7]
AVN 101	DMJFLBC	Alzheimer disease	8A20	Phase 2	[6]
SYN-120	DMPW0UL	Alzheimer disease	8A20	Phase 2	[8]
PF-05212377	DMPVQYR	Alzheimer disease	8A20	Phase 2	[9]
AVN 322	DMK2LGM	Cognitive impairment	6D71	Phase 2	[5]
SAM-531	DMHVJZ6	Alzheimer disease	8A20	Phase 2	[10]
SUVN-502	DMQD753	Alzheimer disease	8A20	Phase 2	[11]

Drug(s) Affected By Caspase-3 (CASP3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sevoflurane	DMC9O43	Anaesthesia	9A78.6	Approved	[12]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[13]
Lovastatin	DM9OZWQ	Arteriosclerosis	BD40	Approved	[14]
Cidofovir	DMA13GD	Cytomegalovirus infection	1D82	Approved	[15]
Docetaxel	DMDI269	Advanced cancer	2A00-2F9Z	Approved	[16]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[17]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[18]
Mannitol	DMSCDY9	Bronchiectasis	CA24	Approved	[19]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[20]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Gene/Protein Processing	[3]

References

• [1] 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. (Ligand id: 271).
• [2] Identification of residues in transmembrane regions III and VI that contribute to the ligand binding site of the serotonin 5-HT6 receptor. J Neurochem. 1998 Nov;71(5):2169-77.
• [3] Cytotoxicity and accumulation of ergot alkaloids in human primary cells. Toxicology. 2011 Apr 11;282(3):112-21. doi: 10.1016/j.tox.2011.01.019. Epub 2011 Feb 2.
• [4] Lu AE58054, a 5-HT6 antagonist, reverses cognitive impairment induced by subchronic phencyclidine in a novel object recognition test in rats. Int J Neuropsychopharmacol. 2010 Sep;13(8):1021-33.
• [5] 5-HT6 receptors and Alzheimer's disease. Alzheimers Res Ther. 2013; 5(2): 15.
• [6] Latrepirdine, a potential novel treatment for Alzheimer's disease and Huntington's chorea. Curr Opin Investig Drugs. 2010 January; 11(1): 80-91.
• [7] Therapeutic strategies for Parkinson disease: beyond dopaminergic drugs. Nat Rev Drug Discov. 2018 Nov;17(11):804-822.
• [8] The Serotonin-6 Receptor as a Novel Therapeutic Target. Exp Neurobiol. 2011 December; 20(4): 159-168.
• [9] PF-05212377 Alzheimer's Disease (Phase 2). Pfizer.
• [10] Activation of 5-HT6 receptors modulates sleep-wake activity and hippocampal theta oscillation. ACS Chem Neurosci. 2013 Jan 16;4(1):191-9.
• [11] Novel and Potent 5-Piperazinyl Methyl-N1-aryl Sulfonyl Indole Derivatives as 5-HT6 Receptor Ligands. ACS Med Chem Lett. 2010 October 14; 1(7): 340-344.
• [12] Different apoptosis ratios and gene expressions in two human cell lines after sevoflurane anaesthesia. Acta Anaesthesiol Scand. 2009 Oct;53(9):1192-9. doi: 10.1111/j.1399-6576.2009.02036.x. Epub 2009 Jun 30.
• [13] [Mechanisms underlying the effect of arsenic trioxide on proliferation inhibition and apoptosis induction in myeloma cell line u266]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2007 Oct;15(5):982-5.
• [14] Lovastatin lactone elicits human lung cancer cell apoptosis via a COX-2/PPAR-dependent pathway. Oncotarget. 2016 Mar 1;7(9):10345-62. doi: 10.18632/oncotarget.7213.
• [15] Induction of apoptosis by cidofovir in human papillomavirus (HPV)-positive cells. Oncol Res. 2000;12(9-10):397-408. doi: 10.3727/096504001108747855.
• [16] Comparison of burst of reactive oxygen species and activation of caspase-3 in apoptosis of K562 and HL-60 cells induced by docetaxel. Cancer Lett. 2004 Oct 8;214(1):103-13. doi: 10.1016/j.canlet.2004.03.047.
• [17] Induction of mitochondrial manganese superoxide dismutase confers resistance to apoptosis in acute myeloblastic leukaemia cells exposed to etoposide. Br J Haematol. 2000 Mar;108(3):574-81. doi: 10.1046/j.1365-2141.2000.01852.x.
• [18] Cisplatin-enhanced sensitivity of glioblastoma multiforme U251 cells to adenovirus-delivered TRAIL in vitro. Tumour Biol. 2010 Dec;31(6):613-22. doi: 10.1007/s13277-010-0077-x. Epub 2010 Jul 11.
• [19] Insulin-like growth factor I is the key growth factor in serum that protects neuroblastoma cells from hyperosmotic-induced apoptosis. J Cell Physiol. 2000 Jan;182(1):24-32. doi: 10.1002/(SICI)1097-4652(200001)182:1<24::AID-JCP3>3.0.CO;2-6.
• [20] mRNA expression analysis of a variety of apoptosis-related genes, including the novel gene of the BCL2-family, BCL2L12, in HL-60 leukemia cells after treatment with carboplatin and doxorubicin. Biol Chem. 2004 Nov;385(11):1099-103. doi: 10.1515/BC.2004.143.
• [21] Neurokinin-1 receptor (NK1R) inhibition sensitizes APL cells to anti-tumor effect of arsenic trioxide via restriction of NF-B axis: Shedding new light on resistance to Aprepitant. Int J Biochem Cell Biol. 2018 Oct;103:105-114. doi: 10.1016/j.biocel.2018.08.010. Epub 2018 Aug 23.