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Drug Details

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Name:CHEMBL1076796
PubChem ID:25102982
Pathway:Show KEGG pathways
InChI:InChI=1S/C37H48F3N7O5S2/c1-43(2)27-9-6-25(7-10-27)36(50)41-15-20-53-33-21-26(8-11-31(33)37(38,39)40)35-30-24-45(54(3,51)52)19-14-32(30)47(42-35)23-29(48)22-44-17-12-28(13-18-44)46-16-4-5-34(46)49/h6-11,21,28-29,48H,4-5,12-20,22-24H2,1-3H3,(H,41,50)
SMILES:OC(Cn1nc(c2c1CCN(C2)S(=O)(=O)C)c1ccc(c(c1)SCCNC(=O)c1ccc(cc1)N(C)C)C(F)(F)F)CN1CCC(CC1)N1CCCC1=O

Properties:
Formula:C37H48F3N7O5S2Atoms:54
Molecular Weight:791.946Rotatable Bonds:15
H-bond Acceptors:13H-bond Donors:2
logP:5.2078
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:720400
CHEMBL1076796