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

Drug Details

add
Name:CHEMBL1091331
PubChem ID:46884503
Pathway:Show KEGG pathways
InChI:InChI=1S/C32H43F3N6O5S2/c1-48(45,46)39-17-10-27-25(20-39)31(36-41(27)13-3-11-37-14-7-23(8-15-37)40-12-2-4-29(40)43)22-5-6-26(32(33,34)35)28(18-22)47-21-30(44)38-16-9-24(42)19-38/h5-6,18,23-24,42H,2-4,7-17,19-21H2,1H3
SMILES:OC1CCN(C1)C(=O)CSc1cc(ccc1C(F)(F)F)c1nn(c2c1CN(CC2)S(=O)(=O)C)CCCN1CCC(CC1)N1CCCC1=O

Properties:
Formula:C32H43F3N6O5S2Atoms:48
Molecular Weight:712.846Rotatable Bonds:12
H-bond Acceptors:12H-bond Donors:1
logP:3.8812
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:720753
CHEMBL1091331