Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL27721
PubChem ID:44276232
Pathway:Show KEGG pathways
InChI:InChI=1S/C30H27N3O9S/c1-4-7-31-30(43)33-32-10-13-8-12-5-6-14-19(17(12)25(37)18(13)29(40)41)26(38)21-22(28(14)42-3)27(39)20-15(24(21)36)9-16(34)11(2)23(20)35/h8-10,32,34-35,40-41H,4-7H2,1-3H3,(H2,31,33,43)/b13-10-
SMILES:CCCNC(=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:C30H27N3O9SAtoms:43
Molecular Weight:605.615Rotatable Bonds:7
H-bond Acceptors:13H-bond Donors:7
logP:3.9274
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:135731
CHEMBL27721