Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0SJ8Q
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| Former ID |
DNC009286
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| Drug Name |
ERITORAN
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| Synonyms |
ERITORAN; UNII-551541VI0Y; E5564; CHEMBL501259; CHEBI:68609; 185955-34-4; 551541VI0Y; Eritoran [INN]; 3-O-decyl-2-deoxy-6-O-{2-deoxy-3-O-[(3R)-3-methoxydecyl]-6-O-methyl-2-[(11E)-octadec-11-enoylamino]-4-O-phosphonato-beta-D-glucopyranosyl}-2-[(3-oxotetradecanoyl)amino]-1-O-phosphono-alpha-D-glucopyranose; 3-O-Decyl-2-Deoxy-6-O-{2-Deoxy-3-O-[(3r)-3-Methoxydecyl]-6-O-Methyl-2-[(11z)-Octadec-11-Enoylamino]-4-O-Phosphono-Beta-D-Glucopyranosyl}-2-[(3-Oxotetradecanoyl)amino]-1-O-Phosphono-Alpha-D-Glucopyranose; B1287
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| Drug Type |
Small molecular drug
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| Indication | Sepsis [ICD-11: 1G40-1G41; ICD-10: R57.2; ICD-9: 785.52] | Phase 3 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C66H126N2O19P2
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| Canonical SMILES |
CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC
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| InChI |
1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1
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| InChIKey |
BPSMYQFMCXXNPC-MFCPCZTFSA-N
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| CAS Number |
CAS 185955-34-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:68609
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4919). | |||
| REF 2 | ClinicalTrials.gov (NCT00334828) ACCESS: A Controlled Comparison of Eritoran Tetrasodium and Placebo in Patients With Severe Sepsis. U.S. National Institutes of Health. | |||
| REF 3 | Small molecule modulators of toll-like receptors. J Med Chem. 2008 Nov 13;51(21):6621-6. | |||
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