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

Drug Details

add
Name:CHEMBL26041
PubChem ID:15391960
Pathway:Show KEGG pathways
InChI:InChI=1S/C32H29N3O9S/c1-13-18(36)11-17-22(25(13)37)29(41)24-23(26(17)38)28(40)21-16(30(24)44-2)7-6-14-10-15(20(31(42)43)27(39)19(14)21)12-33-34-32(45)35-8-4-3-5-9-35/h10-12,33,36-37,42-43H,3-9H2,1-2H3,(H,34,45)/b15-12+
SMILES:COC1=C2CCC3=C/C(=C\NNC(=S)N4CCCCC4)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C32H29N3O9SAtoms:45
Molecular Weight:631.652Rotatable Bonds:5
H-bond Acceptors:13H-bond Donors:6
logP:3.9607
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:137303
CHEMBL26041