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Drug Details

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Name:CHEMBL286712
PubChem ID:44276376
Pathway:Show KEGG pathways
InChI:InChI=1S/C32H31N3O9S/c1-5-15(6-2)34-32(45)35-33-11-14-9-13-7-8-16-21(19(13)27(39)20(14)31(42)43)28(40)23-24(30(16)44-4)29(41)22-17(26(23)38)10-18(36)12(3)25(22)37/h9-11,15,33,36-37,42-43H,5-8H2,1-4H3,(H2,34,35,45)/b14-11-
SMILES:CCC(NC(=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)CC

Properties:
Formula:C32H31N3O9SAtoms:45
Molecular Weight:633.668Rotatable Bonds:8
H-bond Acceptors:13H-bond Donors:7
logP:4.706
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136192
CHEMBL286712