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Drug Details

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Name:CHEMBL27864
PubChem ID:44276396
Pathway:Show KEGG pathways
InChI:InChI=1S/C31H29N3O9S/c1-11(2)9-32-31(44)34-33-10-14-7-13-5-6-15-20(18(13)26(38)19(14)30(41)42)27(39)22-23(29(15)43-4)28(40)21-16(25(22)37)8-17(35)12(3)24(21)36/h7-8,10-11,33,35-36,41-42H,5-6,9H2,1-4H3,(H2,32,34,44)/b14-10-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)NCC(C)C)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C31H29N3O9SAtoms:44
Molecular Weight:619.642Rotatable Bonds:7
H-bond Acceptors:13H-bond Donors:7
logP:4.1734
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136239
CHEMBL27864