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Drug Details

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Name:CHEMBL27657
PubChem ID:44276231
Pathway:Show KEGG pathways
InChI:InChI=1S/C29H25N3O9S/c1-4-30-29(42)32-31-9-12-7-11-5-6-13-18(16(11)24(36)17(12)28(39)40)25(37)20-21(27(13)41-3)26(38)19-14(23(20)35)8-15(33)10(2)22(19)34/h7-9,31,33-34,39-40H,4-6H2,1-3H3,(H2,30,32,42)/b12-9-
SMILES:CCNC(=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:C29H25N3O9SAtoms:42
Molecular Weight:591.589Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:3.5373
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:135730
CHEMBL27657