ERITORAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: 551541VI0Y

Structure
InChI Key QGCAKWVYTGYQRA-IHEYVWSUSA-N
Smile CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](OC)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@@H](CCCCCCC)OC
InChI
InChI=1S/C65H124N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-55(69)66-58-61(81-49-47-53(78-5)45-41-36-18-14-10-4)62(85-87(72,73)74)65(79-6)84-63(58)82-51-54-59(71)60(80-48-43-39-35-24-21-17-13-9-3)57(64(83-54)86-88(75,76)77)67-56(70)50-52(68)44-40-37-33-31-23-20-16-12-8-2/h25-26,53-54,57-65,71H,7-24,27-51H2,1-6H3,(H,66,69)(H,67,70)(H2,72,73,74)(H2,75,76,77)/b26-25-/t53-,54-,57-,58-,59-,60-,61-,62+,63-,64-,65+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H126N2O19P2
Molecular Weight 1313.68
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(%)
Membrane receptor Toll-like and Il-1 receptors
- 2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Insulin Resistance 2 D007333 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 185955-34-4
ChEBI 68609
ChEMBL CHEMBL501259
DrugBank DB04933
EPA CompTox DTXSID60873217
FDA SRS 551541VI0Y
Guide to Pharmacology 4919
PDB E55
PubChem 6912404
SureChEMBL SCHEMBL10042156
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