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

General Information of Drug (ID: DMXI8FP)

• Drug Name: Cysteinesulfonic Acid Drug Info
• Synonyms: Cysteic Acid; 3-Sulfoalanine; 2-amino-3-sulfopropanoic acid; DL-CYSTEIC ACID; 13100-82-8; beta-Sulfoalanine; Alanine, 3-sulfo-; Cysteinic acid; Cysteric acid; Cipteic acid; Cepteic acid; 3024-83-7; CHEBI:21260; C-9550; 2-amino-3-sulfopropanoate; cysteinsaure; Cepteate; Cysterate; Cipteate; Cysteinesulfonate; NSC 254030; (2R)-2-amino-3-sulfo-propanoic acid; L-Cysteic acid, 8; ACMC-209kii; 3-Sulfoalanine, (L)-; 2-Amino-3-sulfopropionate; AC1L19KC; SCHEMBL44030; CHEMBL1171434; 2-amino-3-sulfopro-panoic acid; BDBM85473; CTK8G7889

Indication

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

• Cross-matching ID:
  PubChem CID: 72886
  ChEBI ID: CHEBI:17285
  CAS Number: CAS 498-40-8
  TTD Drug ID: DMXI8FP

Molecule-Related Drug Atlas

Drug(s) Targeting Cathepsin L (CTSL)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
KGP94	DM2NZ6K	Coagulation defect	3B10.0	Clinical trial	[2]
PMID27998201-Compound-12	DM8QZNC	Bone cancer	2B5Z	Patented	[3]
PMID27998201-Compound-5	DMVZ0ND	Chronic obstructive pulmonary disease	CA22	Patented	[3]
PMID27998201-Compound-9	DM1JOZN	Rheumatoid arthritis	FA20	Patented	[3]
PMID25399719-Compound-17	DMRXKJZ	N. A.	N. A.	Patented	[4]
PMID27998201-Compound-17	DMAZVHJ	Hair loss	ED70	Patented	[3]
Phenylalanine derivative 1	DMVYP8K	Glioma	2A00.0	Patented	[3]
PMID27998201-Compound-7	DMU4QYR	Abdominal aortic aneurysm	BD50.4	Patented	[3]
PMID27998201-Compound-6	DM0LGTY	N. A.	N. A.	Patented	[3]
PMID27998201-Compound-1	DM5QH4C	Coronavirus infection	1D92	Patented	[3]

Drug(s) Targeting M-phase inducer phosphatase 2 (MPIP2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Avastin+/-Tarceva	DMA86FL	Non-small-cell lung cancer	2C25.Y	Phase 3	[5]
MX-7065	DMP26BW	Solid tumour/cancer	2A00-2F9Z	Terminated	[6]
2-Sulfhydryl-Ethanol	DMJBO3D	Discovery agent	N.A.	Investigative	[1]
Double Oxidized Cysteine	DM6TU84	Discovery agent	N.A.	Investigative	[1]
Cysteine Sulfenic Acid	DM4GZUJ	N. A.	N. A.	Investigative	[7]
3-isopropyl-4-(phenylthio)naphthalene-1,2-dione	DMJZEMB	Discovery agent	N.A.	Investigative	[8]
4-(p-toluidino)-3-isopropylnaphthalene-1,2-dione	DMQA0EJ	Discovery agent	N.A.	Investigative	[8]
ADOCIAQUINONE B	DMPOU86	Discovery agent	N.A.	Investigative	[9]
3-isopropyl-4-phenylnaphthalene-1,2-dione	DMYZCWX	Discovery agent	N.A.	Investigative	[8]
4-ethoxynaphthalene-1,2-dione	DMUN7KC	Discovery agent	N.A.	Investigative	[5]

Drug(s) Targeting Staphylococcus Peptide deformylase (Stap-coc def)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
GSK1322322	DM1EPMF	Bacterial infection	1A00-1C4Z	Phase 2	[10]
Actinonin	DMT4P89	N. A.	N. A.	Terminated	[11]
Formic Acid	DMNFZC6	Discovery agent	N.A.	Investigative	[1]
Double Oxidized Cysteine	DM6TU84	Discovery agent	N.A.	Investigative	[1]
3-Sulfinoalanine	DMILTRN	N. A.	N. A.	Investigative	[1]
HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	DMA4SIN	Discovery agent	N.A.	Investigative	[12]
2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	DMWMFTJ	Discovery agent	N.A.	Investigative	[12]
[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	DM7NXMB	Discovery agent	N.A.	Investigative	[12]
VRC3375	DM1QKVL	Discovery agent	N.A.	Investigative	[13]
N-alkyl urea hydroxamic acids	DM9T0OK	Discovery agent	N.A.	Investigative	[14]

Drug(s) Targeting PTPN1 messenger RNA (PTPN1 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[15]
TRYPAN BLUE	DM4NTMO	Ophthalmic surgery injury	PK97	Approved	[16]
URSOLIC ACID	DM4SOAW	Metabolic syndrome x	5C50-5D2Z	Phase 2	[17]
ISIS 113715	DMUPD4G	Type-2 diabetes	5A11	Phase 2	[18]
ISIS-PTP1Brx	DMJGVXT	Type-2 diabetes	5A11	Phase 2	[19]
ERTIPROTAFIB	DMJXEV7	Type-2 diabetes	5A11	Terminated	[20]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[1]
B-Octylglucoside	DMMO75G	Discovery agent	N.A.	Investigative	[1]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
Double Oxidized Cysteine	DM6TU84	Discovery agent	N.A.	Investigative	[1]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin L (CTSL)	TT36ETB	CATL1_HUMAN	Inhibitor	[1]
M-phase inducer phosphatase 2 (MPIP2)	TTR0SWN	MPIP2_HUMAN	Inhibitor	[1]
PTPN1 messenger RNA (PTPN1 mRNA)	TTELIN2	PTN1_HUMAN	Inhibitor	[1]
Staphylococcus Peptide deformylase (Stap-coc def)	TTICO5G	DEF_STAAU	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6610-5.
• [3] Cathepsin B and L inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2017 Jun;27(6):643-656.
• [4] An updated patent review of calpain inhibitors (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):17-31.
• [5] Bioactivities of simplified adociaquinone B and naphthoquinone derivatives against Cdc25B, MKP-1, and MKP-3 phosphatases. Bioorg Med Chem. 2009 Mar 15;17(6):2276-81.
• [6] Handbook of Assay Development in Drug Discovery, Lisa K. Minor, 2013. Page(11).
• [7] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [8] Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1905-8.
• [9] Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties. Bioorg Med Chem. 2008 Oct 1;16(19):9040-9.
• [10] Peptide deformylase: a new target in antibacterial, antimalarial and anticancer drug discovery. Curr Med Chem. 2015;22(2):214-36.
• [11] Actinonin, a naturally occurring antibacterial agent, is a potent deformylase inhibitor. Biochemistry. 2000 Feb 15;39(6):1256-62.
• [12] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [13] Peptide deformylase inhibitors as antibacterial agents: identification of VRC3375, a proline-3-alkylsuccinyl hydroxamate derivative, by using an integrated combinatorial and medicinal chemistry approach. Antimicrob Agents Chemother. 2004 Jan;48(1):250-61.
• [14] N-alkyl urea hydroxamic acids as a new class of peptide deformylase inhibitors with antibacterial activity. Antimicrob Agents Chemother. 2002 Sep;46(9):2752-64.
• [15] Periodinates: a new class of protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 1999 Feb 8;9(3):353-6.
• [16] Evans Blue and other dyes as protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1923-6.
• [17] Cytotoxic and PTP1B inhibitory activities from Erythrina abyssinica. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6745-9.
• [18] Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2009).
• [19] Clinical pipeline report, company report or official report of ISIS Pharmaceuticals.
• [20] 2-O-carboxymethylpyrogallol derivatives as PTP1B inhibitors with antihyperglycemic activity. Bioorg Med Chem Lett. 2007 Oct 1;17(19):5357-60.