SURAMIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
UNII: 6032D45BEM

Structure
InChI Key FIAFUQMPZJWCLV-UHFFFAOYSA-N
Smile 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
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 9400-15000 - 65400-65400 18-92
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- 29000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- 29000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- 29000 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- 29000 - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 1700 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- 29000 - - -
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
- 9400-15000 - 65400-65400 18-92
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- 2000-46600 - - 54-82
Epigenetic regulator Writer Protein methyltransferase Protein arginine methyltransferase
- 5330-18100 - - -
Ion channel Ligand-gated ion channel P2X receptor
3000-14900 4000-39811 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
16000 27000 - 112-302 32-51
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
1300 - - - -
Unclassified protein
- 5900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 145-63-1
ChEBI 45906
ChEMBL CHEMBL265502
DrugBank DB04786
DrugCentral 2966
EPA CompTox DTXSID1046344
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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