Details of the Drug

General Information of Drug (ID: DMXI8FP)

Drug Name

Cysteinesulfonic Acid

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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

169.16

Topological Polar Surface Area (xlogp)

-4.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C3H7NO5S
IUPAC Name: (2R)-2-amino-3-sulfopropanoic acid
Canonical SMILES: C([C@@H](C(=O)O)N)S(=O)(=O)O
InChI: InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey: XVOYSCVBGLVSOL-REOHCLBHSA-N

Cross-matching ID

PubChem CID: 72886
ChEBI ID: CHEBI:17285
CAS Number: 498-40-8
DrugBank ID: DB03661
TTD ID: D05AMX

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
PTPN1 messenger RNA (PTPN1 mRNA)	DTT	PTPN1	9.44E-01	7.21E-03	0.08

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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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.
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9	Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties. Bioorg Med Chem. 2008 Oct 1;16(19):9040-9.
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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.