Details of the Drug

General Information of Drug (ID: DMW0ZBF)

Drug Name
SULFATE
Synonyms
sulfate; Sulfate ion; Sulphate; Sulfate(2-); Sulfate ions; Sulfate (ion); Sulfate radical anion; 14808-79-8; Sulfate dianion; Sulfate anion; UNII-7IS9N8KPMG; tetraoxosulfate(2-); Sulfate anion(2-); 7IS9N8KPMG; Sulfate (7CI,8CI,9CI); SO4(2-); Sulfate-35S; SULFATE STANDARD; Sulfate (S-35); Sulphate Ion; tetraoxosulfate(VI); tetraoxidosulfate(2-); Zirconium Basic sulfate; AC1L1ARH; sulfuric acid, ion(2-); Colistin Sulfate (mixture); CHEMBL183495; CHEBI:16189; CTK0H6976; BDBM26992; QAOWNCQODCNURD-UHFFFAOYSA-L; SO42-; SO4-2; SO4--
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): 0 Molecular Weight (mw) 96.07
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
O4S-2
IUPAC Name
sulfate
Canonical SMILES
[O-]S(=O)(=O)[O-]
InChI
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKey
QAOWNCQODCNURD-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
1117
ChEBI ID
CHEBI:16189
CAS Number
14808-79-8
UNII
7IS9N8KPMG
DrugBank ID
DB14546
TTD ID
D03LWY
VARIDT ID
DR00060
INTEDE ID
DR2127

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Sulfate transporter (SLC26A2) DTFSLX5 S26A2_HUMAN Substrate [2]
Sodium/sulfate cotransporter 1 (SLC13A1) DTIZEMV S13A1_HUMAN Substrate [3]
Na(+)/sulfate cotransporter SUT-1 (SLC13A4) DTJZ7W2 S13A4_HUMAN Substrate [4]
Sulfate anion transporter 1 (SLC26A1) DTJ785O S26A1_HUMAN Substrate [5]
Anion exchange transporter (SLC26A7) DTOTME4 S26A7_HUMAN Substrate [6]
Anion exchange transporter (SLC26A6) DTVGOLN S26A6_HUMAN Substrate [7]
Mitochondrial dicarboxylate carrier (SLC25A10) DTJYKDQ DIC_HUMAN Substrate [8]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Sulfurylase kinase 1 (PAPSS1)
Main DME 		DEDG68B PAPS1_HUMAN Substrate [9]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Band 3 anion transport protein (SLC4A1) OT3EFUK8 B3AT_HUMAN Regulation of Drug Effects [10]
Carbonic anhydrase 2 (CA2) OTJRMUAG CAH2_HUMAN Gene/Protein Processing [11]
Carbonic anhydrase 4 (CA4) OT3K93LZ CAH4_HUMAN Gene/Protein Processing [11]
Carbonic anhydrase 9 (CA9) OTNA51XT CAH9_HUMAN Gene/Protein Processing [11]
Intercellular adhesion molecule 1 (ICAM1) OTTOIX77 ICAM1_HUMAN Gene/Protein Processing [12]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [13]
MAP kinase-activated protein kinase 2 (MAPKAPK2) OT460SBO MAPK2_HUMAN Post-Translational Modifications [14]
Mitogen-activated protein kinase 10 (MAPK10) OTC46VX1 MK10_HUMAN Post-Translational Modifications [14]
Mitogen-activated protein kinase 13 (MAPK13) OT0W9GE7 MK13_HUMAN Post-Translational Modifications [14]
Mitogen-activated protein kinase 9 (MAPK9) OTCEVJ9E MK09_HUMAN Post-Translational Modifications [14]
Molecular Interaction Atlas (MIA) 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
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Anion exchange transporter (SLC26A6) DTP SLC26A6 1.80E-12 5.81E-01 8.21E-01
Anion exchange transporter (SLC26A7) DTP SLC26A7 3.16E-11 -3.62E-01 -7.55E-01
Na(+)/sulfate cotransporter SUT-1 (SLC13A4) DTP SUT1 2.61E-01 -1.01E-02 -4.53E-02
Mitochondrial dicarboxylate carrier (SLC25A10) DTP DIC 3.82E-09 1.18E-01 2.74E-01
Sulfate anion transporter 1 (SLC26A1) DTP SAT1 5.67E-05 5.64E-02 2.48E-01
Sodium/sulfate cotransporter 1 (SLC13A1) DTP NAS1 1.25E-01 1.66E-02 1.69E-01
Sulfate transporter (SLC26A2) DTP SLC26A2 1.49E-01 -2.01E-01 -2.74E-01
Sulfurylase kinase 1 (PAPSS1) DME PAPSS1 1.43E-01 -1.63E-01 -3.60E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.
2 Regulated transport of sulfate and oxalate by SLC26A2/DTDST. Am J Physiol Cell Physiol. 2010 Jun;298(6):C1363-75.
3 Na+-sulfate cotransporter SLC13A1. Pflugers Arch. 2014 Jan;466(1):131-7.
4 Loss of the sulfate transporter Slc13a4 in placenta causes severe fetal abnormalities and death in mice. Cell Res. 2015 Nov;25(11):1273-6.
5 Mutations in SLC26A1 Cause Nephrolithiasis. Am J Hum Genet. 2016 Jun 2;98(6):1228-1234.
6 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.53.2.6)
7 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.53.2.7)
8 SLC25A10 biallelic mutations in intractable epileptic encephalopathy with complex I deficiency. Hum Mol Genet. 2018 Feb 1;27(3):499-504.
9 Human 3'-phosphoadenosine 5'-phosphosulfate synthetase (isoform 1, brain): kinetic properties of the adenosine triphosphate sulfurylase and adenosine 5'-phosphosulfate kinase domains. Biochemistry. 2004 Apr 13;43(14):4356-65.
10 Monovalent cation leaks in human red cells caused by single amino-acid substitutions in the transport domain of the band 3 chloride-bicarbonate exchanger, AE1. Nat Genet. 2005 Nov;37(11):1258-63. doi: 10.1038/ng1656. Epub 2005 Oct 9.
11 Carbonic anhydrase inhibitorsInhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate. Bioorg Med Chem Lett. 2005 Feb 1;15(3):567-71.
12 Ambient pollutants, polymorphisms associated with microRNA processing and adhesion molecules: the Normative Aging Study. Environ Health. 2011 May 21;10:45. doi: 10.1186/1476-069X-10-45.
13 Source apportionment of particulate matter in the U.S. and associations with lung inflammatory markers. Inhal Toxicol. 2008 May;20(7):671-83. doi: 10.1080/08958370801935117.
14 Short-term airborne particulate matter exposure alters the epigenetic landscape of human genes associated with the mitogen-activated protein kinase network: a cross-sectional study. Environ Health. 2014 Nov 13;13:94. doi: 10.1186/1476-069X-13-94.