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Drug Details

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Name:CHEMBL282660
PubChem ID:44458286
Pathway:Show KEGG pathways
InChI:InChI=1S/C38H56N5O10PS.2Na/c1-25(2)19-29(35(44)41-33(37(46)47)21-28-22-40-31-16-10-9-15-30(28)31)24-54(49,50)34(20-26(3)4)42-36(45)32(43-55(5,51)52)17-11-12-18-39-38(48)53-23-27-13-7-6-8-14-27;;/h6-10,13-16,22,25-26,29,32-34,40,43H,11-12,17-21,23-24H2,1-5H3,(H,39,48)(H,41,44)(H,42,45)(H,46,47)(H,49,50);;/q;2*+1/p-2/t29?,32-,33-,34?;;/m0../s1
SMILES:CC(CC(P(=O)(CC(C(=O)N[C@H](C(=O)[O-])Cc1c[nH]c2c1cccc2)CC(C)C)[O-])NC(=O)[C@@H](NS(=O)(=O)C)CCCCNC(=O)OCc1ccccc1)C.[Na+].[Na+]

Properties:
Formula:C38H54N5Na2O10PSAtoms:57
Molecular Weight:849.881Rotatable Bonds:27
H-bond Acceptors:14H-bond Donors:5
logP:6.4633
Targets:
NameUniprot IDSourceReferencesInteraction
NeprilysinNEP_RATBindingDB-shows
Synonyms:
CHEBI:128860
CHEMBL282660