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Drug Details

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Name:CHEMBL283933
PubChem ID:44276570
Pathway:Show KEGG pathways
InChI:InChI=1S/C27H21N3O9S/c1-8-13(31)6-12-17(20(8)32)24(36)19-18(21(12)33)23(35)16-11(25(19)39-2)4-3-9-5-10(7-29-30-27(28)40)15(26(37)38)22(34)14(9)16/h5-7,29,31-32,37-38H,3-4H2,1-2H3,(H3,28,30,40)/b10-7-
SMILES:COC1=C2CCC3=C/C(=C/NNC(=S)N)/C(=C(O)O)C(=O)C3=C2C(=O)C2=C1C(=O)c1c(C2=O)cc(c(c1O)C)O

Properties:
Formula:C27H21N3O9SAtoms:40
Molecular Weight:563.535Rotatable Bonds:4
H-bond Acceptors:13H-bond Donors:7
logP:3.1959
Targets:
NameUniprot IDSourceReferencesInteraction
Steryl-sulfataseSTS_HUMANBindingDB-shows
Synonyms:
CHEBI:136653
CHEMBL283933