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

Drug Details

add
Name:CHEMBL1089612
PubChem ID:46884384
Pathway:Show KEGG pathways
InChI:InChI=1S/C33H41F4N5O2S2/c34-24-8-13-39(14-9-24)16-18-46-30-19-23(6-7-27(30)33(35,36)37)31-26-22-41(32(44)29-5-4-17-45-29)15-10-28(26)42(38-31)21-25(43)20-40-11-2-1-3-12-40/h4-7,17,19,24-25,43H,1-3,8-16,18,20-22H2/t25-/m0/s1
SMILES:O[C@H](Cn1nc(c2c1CCN(C2)C(=O)c1cccs1)c1ccc(c(c1)SCCN1CCC(CC1)F)C(F)(F)F)CN1CCCCC1

Properties:
Formula:C33H41F4N5O2S2Atoms:46
Molecular Weight:679.835Rotatable Bonds:12
H-bond Acceptors:9H-bond Donors:1
logP:6.0154
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:720487
CHEMBL1089612