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Drug Details

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Name:CHEMBL1085731
PubChem ID:46891073
Pathway:Show KEGG pathways
InChI:InChI=1S/C29H36N4O9S/c1-2-42-25(34)16-30-29(38)26(35)22(18-41-17-20-11-7-4-8-12-20)32-27(36)21(15-19-9-5-3-6-10-19)31-28(37)23-13-14-24(43-23)33(39)40/h4,7-8,11-14,19,21-22H,2-3,5-6,9-10,15-18H2,1H3,(H,30,38)(H,31,37)(H,32,36)/t21-,22?/m0/s1
SMILES:CCOC(=O)CNC(=O)C(=O)C(NC(=O)[C@@H](NC(=O)c1ccc(s1)[N+](=O)[O-])CC1CCCCC1)COCc1ccccc1

Properties:
Formula:C29H36N4O9SAtoms:43
Molecular Weight:616.683Rotatable Bonds:20
H-bond Acceptors:11H-bond Donors:3
logP:4.371
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:733156
CHEMBL1085731