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Drug Details

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Name:CHEMBL582917
PubChem ID:45482863
Pathway:Show KEGG pathways
InChI:InChI=1S/C39H49Cl2N5O5S/c1-39(2,3)51-38(48)44-20-15-29(16-21-44)28-13-18-43(19-14-28)24-33(47)25-46-36-17-22-45(52(4,49)50)26-34(36)37(42-46)31-9-12-35(41)30(23-31)8-5-27-6-10-32(40)11-7-27/h6-7,9-12,23,28-29,33,47H,13-22,24-26H2,1-4H3/t33-/m0/s1
SMILES:O[C@H](Cn1nc(c2c1CCN(C2)S(=O)(=O)C)c1ccc(c(c1)C#Cc1ccc(cc1)Cl)Cl)CN1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C

Properties:
Formula:C39H49Cl2N5O5SAtoms:52
Molecular Weight:770.808Rotatable Bonds:10
H-bond Acceptors:10H-bond Donors:1
logP:7.1889
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:671081
CHEMBL582917