Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X0EU
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| Former ID |
DIB011083
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| Drug Name |
E-5531
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| Synonyms |
E-1-O-phosphate; 2-Deoxy-6-O-[2-deoxy-3-O-[3(R)-[5(Z)-dodecenoyloxy]decyl]-6-O-methyl-2-(3-oxotetradecanamido)-4-O-phosphono-beta-D-glucopyranosyl]-3-O-[3(R)-hydroxydecyl]-2-(3-oxotetradecanamido)-alpha-D-glucopyranos
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| Indication | Sepsis [ICD-11: 1G40-1G41; ICD-10: R57.2; ICD-9: 785.52] | Discontinued in Phase 2 | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C73H136N2O22P2
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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(=O)CCCC=CCCCCCC)NC(=O)CC(=O)CCCCCCCCCCC)O)OCCC(CCCCCCC)O
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| InChI |
1S/C73H136N2O22P2/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88)/b33-30-/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1
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| InChIKey |
GDODKYPBSZCPOO-XFMGTHRKSA-N
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| CAS Number |
CAS 162679-36-9
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Lipopolysaccharide-binding protein (LBP) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003108) | |||
| REF 2 | The cellular Toll-like receptor 4 antagonist E5531 can act as an agonist in horse whole blood. Vet Immunol Immunopathol. 2007 Apr 15;116(3-4):182-9. | |||
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