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Drug Details

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Name:CHEMBL27057
PubChem ID:15391959
Pathway:Show KEGG pathways
InChI:InChI=1S/C30H25N3O9S/c1-10-16(34)8-15-20(23(10)35)27(39)22-21(24(15)36)26(38)19-14(28(22)42-2)6-3-11-7-12(18(29(40)41)25(37)17(11)19)9-31-33-30(43)32-13-4-5-13/h7-9,13,31,34-35,40-41H,3-6H2,1-2H3,(H2,32,33,43)/b12-9+
SMILES:COC1=C2CCC3=C/C(=C\NNC(=S)NC4CC4)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C30H25N3O9SAtoms:43
Molecular Weight:603.599Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:3.6798
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136191
CHEMBL27057