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Drug Details

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Name:CHEMBL1089277
PubChem ID:25102981
Pathway:Show KEGG pathways
InChI:InChI=1S/C35H42F4N6O5S2/c1-52(49,50)43-17-12-30-28(22-43)33(41-45(30)21-27(46)20-42-15-10-26(11-16-42)44-14-2-3-32(44)47)24-6-9-29(35(37,38)39)31(19-24)51-18-13-40-34(48)23-4-7-25(36)8-5-23/h4-9,19,26-27,46H,2-3,10-18,20-22H2,1H3,(H,40,48)
SMILES:OC(Cn1nc(c2c1CCN(C2)S(=O)(=O)C)c1ccc(c(c1)SCCNC(=O)c1ccc(cc1)F)C(F)(F)F)CN1CCC(CC1)N1CCCC1=O

Properties:
Formula:C35H42F4N6O5S2Atoms:52
Molecular Weight:766.869Rotatable Bonds:14
H-bond Acceptors:12H-bond Donors:2
logP:5.2809
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:720399
CHEMBL1089277