ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1484857
CHEMBL1484857
Compound Name SUCCINYLSULFATHIAZOLE
ChEMBL Synonyms SUCCINYLSULFATHIAZOLE
Max Phase 0
Trade Names
Molecular Formula C13H13N3O5S2

Additional synonyms for CHEMBL1484857 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
Standard InChI InChI=1S/C13H13N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9) ...
Download InChI
Standard InChI Key SKVLYVHULOWXTD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1484857

Molecule Features

CHEMBL1484857 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SUCCINYLSULFATHIAZOLE
The Cochrane Collaboration SUCCINYLSULFATHIAZOLE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1484857. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL261 Carbonic anhydrase I Homo sapiens 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 1.000
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.997
CHEMBL1949 Cyclophilin A Homo sapiens 0.973
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.963
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.960
CHEMBL2392 DNA polymerase beta Homo sapiens 0.953
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.904
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.841
CHEMBL5514 Huntingtin Homo sapiens 0.819
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.650
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.317
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.308
CHEMBL5071 G protein-coupled receptor 44 Homo sapiens 0.268
CHEMBL3423 Methionine aminopeptidase Escherichia coli K-12 0.230
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.208
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.202



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5686 6-phospho-1-fructokinase Trypanosoma brucei 1.000
CHEMBL281 Carbonic anhydrase IV Bos taurus 1.000
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.998
CHEMBL4296 Sodium channel protein type IX alpha subunit Homo sapiens 0.994
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.990
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.988
CHEMBL3864 Protein-tyrosine phosphatase 2C Homo sapiens 0.983
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.945
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.916
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.876
CHEMBL1993 DNA (cytosine-5)-methyltransferase 1 Homo sapiens 0.607
CHEMBL2392 DNA polymerase beta Homo sapiens 0.606
CHEMBL1293313 M17 leucyl aminopeptidase Plasmodium falciparum 3D7 0.547
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.546
CHEMBL1949 Cyclophilin A Homo sapiens 0.513
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.411
CHEMBL5514 Huntingtin Homo sapiens 0.411
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.390
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.328
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.271

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
355.4 355.0297 0.28 7 162.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.51 1.79 .19 -3.14 2 23 0.65

Structural Alerts

There are 2 structural alerts for CHEMBL1484857. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A07 - ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07A - INTESTINAL ANTIINFECTIVES
A07AB - Sulfonamides
A07AB04 - succinylsulfathiazole

ChemSpider ChemSpider:SKVLYVHULOWXTD-UHFFFAOYSA-N
PubChem SID: 11112259 SID: 144203951 SID: 170465721 SID: 855781

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1484857



ACToR 116-43-8
ChEBI 9309
DrugCentral 2490
eMolecules 478288
EPA CompTox Dashboard DTXSID7045281
FDA SRS RSS8647O4S
IBM Patent System 30F5947A9B539B31AAF798FD1AEF4DE1
KEGG Ligand C11745
LINCS LSM-5210
Mcule MCULE-7766194789
MolPort MolPort-000-421-568
Nikkaji J5.280I
PubChem 5315
PubChem: Thomson Pharma 14901089
SureChEMBL SCHEMBL151873
ZINC ZINC000001532343

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SKVLYVHULOWXTD-UHFFFAOYSA-N spacer
spacer