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Drug Details

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Name:CHEMBL284412
PubChem ID:44276491
Pathway:Show KEGG pathways
InChI:InChI=1S/C32H30N4O9S/c1-13-18(37)11-17-22(25(13)38)29(42)24-23(26(17)39)28(41)21-16(30(24)45-2)7-6-14-10-15(20(31(43)44)27(40)19(14)21)12-33-34-32(46)35-36-8-4-3-5-9-36/h10-12,33,37-38,43-44H,3-9H2,1-2H3,(H2,34,35,46)/b15-12-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)NN4CCCCC4)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C32H30N4O9SAtoms:46
Molecular Weight:646.667Rotatable Bonds:6
H-bond Acceptors:14H-bond Donors:7
logP:3.8562
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136462
CHEMBL284412