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Drug Details

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Name:CHEMBL27197
PubChem ID:44276612
Pathway:Show KEGG pathways
InChI:InChI=1S/C36H39N3O9S/c1-4-5-6-7-8-9-10-13-37-36(49)39-38-16-19-14-18-11-12-20-25(23(18)31(43)24(19)35(46)47)32(44)27-28(34(20)48-3)33(45)26-21(30(27)42)15-22(40)17(2)29(26)41/h14-16,38,40-41,46-47H,4-13H2,1-3H3,(H2,37,39,49)/b19-16-
SMILES:CCCCCCCCCNC(=S)NN/C=C\1/C=C2CCC3=C(OC)C4=C(C(=O)C3=C2C(=O)C1=C(O)O)C(=O)c1c(C4=O)c(O)c(c(c1)O)C

Properties:
Formula:C36H39N3O9SAtoms:49
Molecular Weight:689.775Rotatable Bonds:13
H-bond Acceptors:13H-bond Donors:7
logP:6.268
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136757
CHEMBL27197