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Drug Details

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Name:CHEMBL1085729
PubChem ID:46891071
Pathway:Show KEGG pathways
InChI:InChI=1S/C35H45N3O9/c1-4-47-32(40)21-36-35(43)33(41)29(23-46-22-25-13-9-6-10-14-25)38-34(42)28(19-24-11-7-5-8-12-24)37-31(39)18-15-26-20-27(44-2)16-17-30(26)45-3/h6,9-10,13-18,20,24,28-29H,4-5,7-8,11-12,19,21-23H2,1-3H3,(H,36,43)(H,37,39)(H,38,42)/b18-15+/t28-,29?/m0/s1
SMILES:CCOC(=O)CNC(=O)C(=O)C(NC(=O)[C@@H](NC(=O)/C=C/c1cc(OC)ccc1OC)CC1CCCCC1)COCc1ccccc1

Properties:
Formula:C35H45N3O9Atoms:47
Molecular Weight:651.747Rotatable Bonds:22
H-bond Acceptors:12H-bond Donors:3
logP:4.2949
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:733153
CHEMBL1085729