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Drug Details

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Name:CHEMBL108748
PubChem ID:10721344
Pathway:Show KEGG pathways
InChI:InChI=1S/C27H36N2O8S/c1-4-11-29(38(32,33)15-14-34-2)13-12-28-17-22(20-7-10-23-24(16-20)37-18-36-23)25(27(30)31)26(28)19-5-8-21(35-3)9-6-19/h5-10,16,22,25-26H,4,11-15,17-18H2,1-3H3,(H,30,31)/t22-,25-,26+/m1/s1
SMILES:COCCS(=O)(=O)N(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)OC)C(=O)O)c1ccc2c(c1)OCO2)CCC

Properties:
Formula:C27H36N2O8SAtoms:38
Molecular Weight:548.648Rotatable Bonds:13
H-bond Acceptors:10H-bond Donors:1
logP:3.9721
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_HUMANBindingDB-shows
Synonyms:
CHEBI:279849
CHEMBL108748
CID 10721344
CID10721344