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Drug Details

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Name:CHEMBL359235
PubChem ID:44366014
Pathway:Show KEGG pathways
InChI:InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35-,36-,37+,38+,40+,41+/m1/s1
SMILES:CC[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)Cc1ccccc1)CC(=O)O)C

Properties:
Formula:C47H59N7O10Atoms:64
Molecular Weight:882.012Rotatable Bonds:30
H-bond Acceptors:16H-bond Donors:9
logP:5.1214
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_MOUSEBindingDB-shows
Synonyms:
CHEBI:348768
CHEMBL359235