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Drug Details

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Name:CHEMBL27369
PubChem ID:44276562
Pathway:Show KEGG pathways
InChI:InChI=1S/C34H33N3O9S/c1-14-20(38)12-19-24(27(14)39)31(43)26-25(28(19)40)30(42)23-18(32(26)46-2)10-9-15-11-16(22(33(44)45)29(41)21(15)23)13-35-37-34(47)36-17-7-5-3-4-6-8-17/h11-13,17,35,38-39,44-45H,3-10H2,1-2H3,(H2,36,37,47)/b16-13-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)NC4CCCCCC4)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C34H33N3O9SAtoms:47
Molecular Weight:659.706Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:5.2402
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136638
CHEMBL27369