E6201   Click here for help

GtoPdb Ligand ID: 7836

Synonyms: E 6201 | E-6201
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: The discovery of E6201 is described in [1]. It is a fully synthetic analogue of the naturally occurring fungal resorcylic lactone LL-Z1640-2 (PubChem CID 9863776).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 116.09
Molecular weight 389.18
XLogP 2.69
No. Lipinski's rules broken 0
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Canonical SMILES CCNc1cc2C=CCC(O)C(O)C(=O)C=CC(C(OC(=O)c2c(c1)O)C)C
Isomeric SMILES CCNc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]([C@@H](OC(=O)c2c(c1)O)C)C
InChI InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1
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Summary of Clinical Use Click here for help
E6201 has been assessed in the completed clinical trial NCT01268527 (Phase 2), for the treatment of psoriasis vulgaris. As of October 2018 there is only one active E6201 clinical trial registered with ClinicalTrials.gov, NCT03332589 (Phase 1), which will evaluate efficacy in metastatic melanoma patients.