Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL1093955
PubChem ID:25104549
Pathway:Show KEGG pathways
InChI:InChI=1S/C39H51F3N6O3S2/c1-53(50,51)46-24-16-35-33(28-46)38(43-48(35)19-6-17-44-22-14-32(15-23-44)47-18-5-9-37(47)49)31-10-11-34(39(40,41)42)36(27-31)52-26-25-45-20-12-30(13-21-45)29-7-3-2-4-8-29/h2-4,7-8,10-11,27,30,32H,5-6,9,12-26,28H2,1H3
SMILES:O=C1CCCN1C1CCN(CC1)CCCn1nc(c2c1CCN(C2)S(=O)(=O)C)c1ccc(c(c1)SCCN1CCC(CC1)c1ccccc1)C(F)(F)F

Properties:
Formula:C39H51F3N6O3S2Atoms:53
Molecular Weight:772.986Rotatable Bonds:13
H-bond Acceptors:10H-bond Donors:0
logP:7.1676
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:720307
CHEMBL1093955