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

Drug Details

add
Name:CHEMBL26969
PubChem ID:44276388
Pathway:Show KEGG pathways
InChI:InChI=1S/C32H29N3O9S/c1-12-18(36)10-17-22(25(12)37)29(41)24-23(26(17)38)28(40)21-16(30(24)44-2)8-7-13-9-14(20(31(42)43)27(39)19(13)21)11-33-35-32(45)34-15-5-3-4-6-15/h9-11,15,33,36-37,42-43H,3-8H2,1-2H3,(H2,34,35,45)/b14-11-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)NC4CCCC4)/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:6
H-bond Acceptors:13H-bond Donors:7
logP:4.46
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136222
CHEMBL26969