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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265502
CHEMBL265502
Compound Name SURAMIN
ChEMBL Synonyms SURAMIN SODIUM | NAPHURIDE | SURAMIN HEXASODIUM | CI-1003
Max Phase 3
Trade Names
Molecular Formula C51H40N6O23S6

Additional synonyms for CHEMBL265502 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(= ...
Download SMILES
Standard InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83 ...
Download InChI
Standard InChI Key FIAFUQMPZJWCLV-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • MMV Pathogen Box
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL265502

Molecule Features

CHEMBL265502 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LEISHMANIASISD007896EFO:0005044LEISHMANIASIS4ATC
CHILD DEVELOPMENT DISORDERS, PERVASIVED002659EFO:0003756AUTISM SPECTRUM DISORDER1ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA3ClinicalTrials
TRYPANOSOMIASISD014352DOID:10113TRYPANOSOMIASIS4ATC

Clinical Data

ClinicalTrials.gov SURAMIN
The Cochrane Collaboration SURAMIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
1297.3 1296.0469 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL265502

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01C - AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS
P01CX - Other agents against leishmaniasis and trypanosomiasis
P01CX02 - suramin sodium

ChemSpider ChemSpider:FIAFUQMPZJWCLV-UHFFFAOYSA-N
PubChem SID: 11114098 SID: 124887029 SID: 144205598 SID: 170466101 SID: 26752197 SID: 26756673 SID: 50104860 SID: 544513 SID: 90341387
Wikipedia Suramin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL265502



ACToR 145-63-1 129-46-4
BindingDB 50336799
ChEBI 45906
DrugBank DB04786
DrugCentral 2966
eMolecules 731081
EPA CompTox Dashboard DTXSID1046344
FDA SRS 6032D45BEM
Guide to Pharmacology 1728
Human Metabolome Database HMDB0015582
IBM Patent System EF92F475E2B6C32528ECDEE30938D812
KEGG Ligand C07974
LINCS LSM-5775
Nikkaji J193.647F
PDBe SVR
PharmGKB PA10292
PubChem 5361 4261196
PubChem: Thomson Pharma 14792752
SureChEMBL SCHEMBL3161

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