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

General Information of Drug (ID: DM20AJ4)

• Drug Name: VPC-94075 Drug Info
• Synonyms: Sphingosine kinase inhibitor (vascular disease); Sphingosine kinase inhibitor (vascular disease), University of Virgina

Indication

Disease Entry	ICD 11	Status	REF
Vascular disease	BE2Z	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 753704
  ChEBI ID: CHEBI:92375
  CAS Number: CAS 312636-16-1
  TTD Drug ID: DM20AJ4

Molecule-Related Drug Atlas

Drug(s) Targeting Sphingosine kinase 1 (SPHK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenoxodiol	DMBUJVX	Ovarian cancer	2C73	Phase 1/2	[4]
GSK618334	DMJPXZ4	Drug abuse	6C4G.1Z	Phase 1	[5]
PMID27539678-Compound-6	DMBKNDE	N. A.	N. A.	Patented	[6]
Methylbenzenesulfonamide derivative 1	DMUNME2	N. A.	N. A.	Patented	[6]
PMID27539678-Compound-12	DMNIKTA	N. A.	N. A.	Patented	[6]
PMID27539678-Compound-10	DM61SR0	N. A.	N. A.	Patented	[6]
PMID27539678-Compound-16	DMMDJH8	N. A.	N. A.	Patented	[6]
PMID27539678-Compound-14	DMZ02LA	N. A.	N. A.	Patented	[6]
PMID27539678-Compound-13	DM1J2V8	N. A.	N. A.	Patented	[6]
PMID27539678-Compound-11	DMIKAJC	N. A.	N. A.	Patented	[6]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[7]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[8]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[9]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[10]
Acocantherin	DM7JT24	Atrial fibrillation	BC81.3	Approved	[11]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[12]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[13]
Bortezomib	DMNO38U	Leukemia		Approved	[14]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[15]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine kinase 1 (SPHK1)	TTOHFIY	SPHK1_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sphingosine kinase 1 (SPHK1)	OTWYPBVD	SPHK1_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: 6041).
• [2] 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. (Target id: 2204).
• [3] 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.
• [4] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [5] Sphingosine kinase 1 is a potential therapeutic target for nasopharyngeal carcinoma.Oncotarget. 2016 Dec 6;7(49):80586-80598.
• [6] Sphingosine kinase inhibitors: a review of patent literature (2006-2015).Expert Opin Ther Pat. 2016 Dec;26(12):1409-1416.
• [7] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [8] Retinoic acid receptor alpha amplifications and retinoic acid sensitivity in breast cancers. Clin Breast Cancer. 2013 Oct;13(5):401-8.
• [9] 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.
• [10] 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.
• [11] 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.
• [12] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
• [13] 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.
• [14] 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.
• [15] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [16] 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.