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
CAS NUMBER 145-63-1
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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