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Drug Details

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Name:CHEMBL26647
PubChem ID:44276395
Pathway:Show KEGG pathways
InChI:InChI=1S/C31H29N3O9S/c1-11-16(35)9-15-20(23(11)36)27(40)22-21(24(15)37)26(39)19-14(28(22)43-5)7-6-12-8-13(18(29(41)42)25(38)17(12)19)10-32-34-30(44)33-31(2,3)4/h8-10,32,35-36,41-42H,6-7H2,1-5H3,(H2,33,34,44)/b13-10-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)NC(C)(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:6
H-bond Acceptors:13H-bond Donors:7
logP:4.3159
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136238
CHEMBL26647