SURAMIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 6032D45BEM
EPA CompTox DTXSID1046344

Structure

InChI Key FIAFUQMPZJWCLV-UHFFFAOYSA-N
Smiles Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1
InChI
InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)

Physicochemical Descriptors

Property Name Value
Molecular Formula C51H40N6O23S6
Molecular Weight 1297.3

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 18-92
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 20-60
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- - - - 83
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- - - - 32
Enzyme
- - - - 18-92
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- 300-600 - - 20-82.3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
- - - 112.2-302 27-93.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 44
Dengue virus
- 700 40 - -
Homo sapiens
- 300-600 - 112.2-302 20-93.7
Human immunodeficiency virus 1
- - - - 18-92
Trypanosoma brucei
20-40 110-900 - - -
Trypanosoma brucei brucei
- 5-310 - - 100
Trypanosoma brucei rhodesiense
185.3 7.5-120 - - 32

Cross References

Resources Reference
ChEBI 45906
ChEMBL CHEMBL265502
DrugBank DB04786
DrugCentral 2966
FDA SRS 6032D45BEM
Human Metabolome Database HMDB0015582
Guide to Pharmacology 1728
KEGG C07974
PDB SVR
PharmGKB PA10292
PubChem 5361
SureChEMBL SCHEMBL3161
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