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Drug Details

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Name:CHEMBL286960
PubChem ID:44276371
Pathway:Show KEGG pathways
InChI:InChI=1S/C33H33N3O9S/c1-4-5-6-7-10-34-33(46)36-35-13-16-11-15-8-9-17-22(20(15)28(40)21(16)32(43)44)29(41)24-25(31(17)45-3)30(42)23-18(27(24)39)12-19(37)14(2)26(23)38/h11-13,35,37-38,43-44H,4-10H2,1-3H3,(H2,34,36,46)/b16-13-
SMILES:CCCCCCNC(=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:C33H33N3O9SAtoms:46
Molecular Weight:647.695Rotatable Bonds:10
H-bond Acceptors:13H-bond Donors:7
logP:5.0977
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136175
CHEMBL286960