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Drug Details

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Name:CHEMBL1089618
PubChem ID:46884390
Pathway:Show KEGG pathways
InChI:InChI=1S/C31H43F4N5O3S/c1-43-21-29(42)39-14-9-27-25(20-39)30(36-40(27)19-24(41)18-38-10-3-2-4-11-38)22-5-6-26(31(33,34)35)28(17-22)44-16-15-37-12-7-23(32)8-13-37/h5-6,17,23-24,41H,2-4,7-16,18-21H2,1H3/t24-/m0/s1
SMILES:COCC(=O)N1CCc2c(C1)c(nn2C[C@H](CN1CCCCC1)O)c1ccc(c(c1)SCCN1CCC(CC1)F)C(F)(F)F

Properties:
Formula:C31H43F4N5O3SAtoms:44
Molecular Weight:641.763Rotatable Bonds:13
H-bond Acceptors:9H-bond Donors:1
logP:4.2865
Targets:
NameUniprot IDSourceReferencesInteraction
Cathepsin SCATS_HUMANBindingDB-shows
Synonyms:
CHEBI:720493
CHEMBL1089618