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

General Information of Drug (ID: DM1OKN0)

• Drug Name: DIMETHYLSPINGOSINE Drug Info
• Synonyms: N,N-Dimethylsphing-4-enine; D-erythro-N,N-dimethylsphingosine; N,N-Dimethylspingosine; CHEMBL322333; CHEBI:78759; D-erythro-Sphingosine, N,N-Dimethyl-; N,N-Dimethylsphingenine; N,N-dimethyl-erythro-sphingosine; N,N-Dimethyl-D-erythrosphingenine; N-dimethylsphingosine; AC1NQZUP; C13914; N,N-Dimethyl-4-sphingenine; BSPBio_001420; N,N-Dimethylsphingosine, oil; SCHEMBL121927; SCHEMBL5493697; BML3-C12; Dimethyl Sphingosine (d18:1)
• Cross-matching ID:
  PubChem CID: 5282309
  ChEBI ID: CHEBI:78759
  CAS Number: CAS 119567-63-4
  TTD Drug ID: DM1OKN0

Molecule-Related Drug Atlas

Drug(s) Targeting Sphingosine kinase 2 (SPHK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ABC294640	DMCKPG4	Advanced solid tumour	2A00-2F9Z	Phase 3	[3]
(R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide	DMA1EFL	Discovery agent	N.A.	Investigative	[4]
(S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide	DMG0CSZ	Discovery agent	N.A.	Investigative	[4]
(R)-2-amino-3-(4-octylphenylamino)propan-1-ol	DMZXT34	Discovery agent	N.A.	Investigative	[4]
ROMe	DMAROW1	Discovery agent	N.A.	Investigative	[5]
(S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide	DM8A1HG	Discovery agent	N.A.	Investigative	[4]

Drug(s) Affected By Sphingosine kinase 1 (SPHK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[6]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[7]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[8]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[9]
Acocantherin	DM7JT24	Atrial fibrillation	BC81.3	Approved	[10]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[11]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[12]
Bortezomib	DMNO38U	Leukemia		Approved	[13]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[14]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine kinase 2 (SPHK2)	TTCN0M9	SPHK2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sphingosine kinase 1 (SPHK1)	OTWYPBVD	SPHK1_HUMAN	Gene/Protein Processing	[2]

References

• [1] Synthesis and evaluation of sphingosine analogues as inhibitors of sphingosine kinases. J Med Chem. 2009 Jun 25;52(12):3618-26.
• [2] Pharmacologic manipulation of sphingosine kinase in retinal endothelial cells: implications for angiogenic ocular diseases. Invest Ophthalmol Vis Sci. 2006 Nov;47(11):5022-31. doi: 10.1167/iovs.05-1236.
• [3] Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Nat Rev Drug Discov. 2013 Sep;12(9):688-702.
• [4] Discovery of novel sphingosine kinase 1 inhibitors. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6119-21.
• [5] (R)-FTY720 methyl ether is a specific sphingosine kinase 2 inhibitor: Effect on sphingosine kinase 2 expression in HEK 293 cells and actin rearrangement and survival of MCF-7 breast cancer cells. Cell Signal. 2011 Oct;23(10):1590-5.
• [6] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [7] Retinoic acid receptor alpha amplifications and retinoic acid sensitivity in breast cancers. Clin Breast Cancer. 2013 Oct;13(5):401-8.
• [8] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [9] THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
• [10] Ouabain impairs cell migration, and invasion and alters gene expression of human osteosarcoma U-2 OS cells. Environ Toxicol. 2017 Nov;32(11):2400-2413. doi: 10.1002/tox.22453. Epub 2017 Aug 10.
• [11] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
• [12] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [13] Bortezomib and sphingosine kinase inhibitor interact synergistically to induces apoptosis in BCR/ABl+ cells sensitive and resistant to STI571 through down-regulation Mcl-1. Biochem Biophys Res Commun. 2011 Feb 4;405(1):31-6. doi: 10.1016/j.bbrc.2010.12.111. Epub 2010 Dec 30.
• [14] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [15] The DNA methyltransferase inhibitors azacitidine, decitabine and zebularine exert differential effects on cancer gene expression in acute myeloid leukemia cells. Leukemia. 2009 Jun;23(6):1019-28.