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Drug Details

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Name:CHEMBL27368
PubChem ID:44276561
Pathway:Show KEGG pathways
InChI:InChI=1S/C35H35N3O9S/c1-15-21(39)13-20-25(28(15)40)32(44)27-26(29(20)41)31(43)24-19(33(27)47-2)11-10-16-12-17(23(34(45)46)30(42)22(16)24)14-36-38-35(48)37-18-8-6-4-3-5-7-9-18/h12-14,18,36,39-40,45-46H,3-11H2,1-2H3,(H2,37,38,48)/b17-14-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)NC4CCCCCCC4)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C35H35N3O9SAtoms:48
Molecular Weight:673.732Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:5.6303
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136637
CHEMBL27368