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Name:CHEMBL285011
PubChem ID:44276433
Pathway:Show KEGG pathways
InChI:InChI=1S/C39H45N3O9S/c1-4-5-6-7-8-9-10-11-12-13-16-40-39(52)42-41-19-22-17-21-14-15-23-28(26(21)34(46)27(22)38(49)50)35(47)30-31(37(23)51-3)36(48)29-24(33(30)45)18-25(43)20(2)32(29)44/h17-19,41,43-44,49-50H,4-16H2,1-3H3,(H2,40,42,52)/b22-19-
SMILES:CCCCCCCCCCCCNC(=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:C39H45N3O9SAtoms:52
Molecular Weight:731.854Rotatable Bonds:16
H-bond Acceptors:13H-bond Donors:7
logP:7.4383
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136325
CHEMBL285011