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Name:CHEMBL450138
PubChem ID:44197136
Pathway:Show KEGG pathways
InChI:InChI=1S/C42H51N5O6S/c1-30(34-17-11-6-12-18-34)44-40(49)35-26-36(28-37(27-35)46(2)54(3,52)53)41(50)45-38(25-32-13-7-4-8-14-32)39(48)42(51)43-22-19-31-20-23-47(24-21-31)29-33-15-9-5-10-16-33/h4-18,26-28,30-31,38-39,48H,19-25,29H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)/t30-,38+,39?/m1/s1
SMILES:CS(=O)(=O)N(c1cc(cc(c1)C(=O)N[C@@H](c1ccccc1)C)C(=O)N[C@H](C(C(=O)NCCC1CCN(CC1)Cc1ccccc1)O)Cc1ccccc1)C

Properties:
Formula:C42H51N5O6SAtoms:54
Molecular Weight:753.949Rotatable Bonds:19
H-bond Acceptors:11H-bond Donors:4
logP:6.8853
Targets:
NameUniprot IDSourceReferencesInteraction
AcetylcholinesteraseACES_RATBindingDB-shows
Synonyms:
CHEBI:618326
CHEMBL450138