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Drug Details

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Name:CHEMBL285331
PubChem ID:44276370
Pathway:Show KEGG pathways
InChI:InChI=1S/C31H29N3O9S/c1-4-5-8-32-31(44)34-33-11-14-9-13-6-7-15-20(18(13)26(38)19(14)30(41)42)27(39)22-23(29(15)43-3)28(40)21-16(25(22)37)10-17(35)12(2)24(21)36/h9-11,33,35-36,41-42H,4-8H2,1-3H3,(H2,32,34,44)/b14-11-
SMILES:CCCCNC(=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:C31H29N3O9SAtoms:44
Molecular Weight:619.642Rotatable Bonds:8
H-bond Acceptors:13H-bond Donors:7
logP:4.3175
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136174
CHEMBL285331