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Drug Details

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Name:CHEMBL25967
PubChem ID:44276443
Pathway:Show KEGG pathways
InChI:InChI=1S/C33H24ClN3O9S/c1-12-19(38)10-18-23(26(12)39)30(43)25-24(27(18)40)29(42)22-17(31(25)46-2)8-3-13-9-14(21(32(44)45)28(41)20(13)22)11-35-37-33(47)36-16-6-4-15(34)5-7-16/h4-7,9-11,35,38-39,44-45H,3,8H2,1-2H3,(H2,36,37,47)/b14-11-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)Nc4ccc(cc4)Cl)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C33H24ClN3O9SAtoms:47
Molecular Weight:674.076Rotatable Bonds:6
H-bond Acceptors:13H-bond Donors:7
logP:5.3754
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136349
CHEMBL25967