Fragment: e1c5646b2725fc8b1b4bcbc2d25c94de

SMILES: [13*][C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H]([15*])[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

Source Method: Murcko+BRICS

Fragment structure

Appears In Molecules

IDNameSMILESLink
CHEMBL3215298 CHEMBL3215298 CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O View

Associated Targets

TargetOrganismLink
Interleukin-8 receptor A Homo sapiens View
MAP kinase ERK1 Homo sapiens View
Tyrosine-protein kinase FYN Homo sapiens View
Leukocyte common antigen Homo sapiens View
Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Homo sapiens View
Cytochrome P450 2E1 Homo sapiens View
Cytochrome P450 2A6 Homo sapiens View
Vasoactive intestinal polypeptide receptor 1 Homo sapiens View
HMG-CoA reductase Homo sapiens View
Histamine H2 receptor Homo sapiens View
Calcitonin receptor Homo sapiens View
Cysteinyl leukotriene receptor 1 Homo sapiens View
Alpha-2b adrenergic receptor Homo sapiens View
Neuropeptide Y receptor type 2 Homo sapiens View
Cathepsin G Homo sapiens View
C-C chemokine receptor type 4 Homo sapiens View
Angiotensin II type 2 (AT-2) receptor Homo sapiens View
Interleukin-8 receptor B Homo sapiens View

Fragment–Molecule–Target Network

Fragment–Molecule Network