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Drug Details

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Name:CHEMBL147058
PubChem ID:44366015
Pathway:Show KEGG pathways
InChI:InChI=1S/C47H59N7O11/c1-6-26(3)40(45(62)52-38(47(64)65)23-31-25-48-34-16-12-11-15-33(31)34)54-46(63)41(27(4)7-2)53-44(61)37(24-39(57)58)51-43(60)36(22-30-17-19-32(56)20-18-30)50-42(59)35(49-28(5)55)21-29-13-9-8-10-14-29/h8-20,25-27,35-38,40-41,48,56H,6-7,21-24H2,1-5H3,(H,49,55)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,54,63)(H,57,58)(H,64,65)/t26-,27-,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)Cc1ccc(cc1)O)CC(=O)O)C

Properties:
Formula:C47H59N7O11Atoms:65
Molecular Weight:898.012Rotatable Bonds:30
H-bond Acceptors:17H-bond Donors:10
logP:4.827
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_MOUSEBindingDB-shows
Synonyms:
CHEBI:348769
CHEMBL147058