Compound ID | 1313

Update compound information

Sibofimloc

Synonym(s): EB8018

Spectrum of activity: Gram-negative
Details of activity: Designed to block the FimH adhesin from overabundant Enterobacteriaceae (adherent-invasive E. coli) in Crohn’s disease patients
Institute where first reported: Enterome
Highest development stage: Phase1
Development status: Active
Chemical structure(s):
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Molecular weight: 649.69
Iso. SMILES: CC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)C#C[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=C2C=C(C=C5)C#C[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI Key: SFHMWDMKUYVSQJ-VECBPBMLSA-N
Can. SMILES: CC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)C#C[C@@H]4[C@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)C5=CC=C(C#C[C@@H]6[C@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)C=C52
InChI: InChI=1S/C35H39NO11/c1-18(39)36-12-10-35(11-13-36)23-14-19(4-8-25-29(40)33(44)31(42)27(16-37)46-25)2-6-21(23)22-7-3-20(15-24(22)35)5-9-26-30(41)34(45)32(43)28(17-38)47-26/h2-3,6-7,14-15,25-34,37-38,40-45H,10-13,16-17H2,1H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/76684239
Citation: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6099838/

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