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Drug Details

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Name:CHEMBL433893
PubChem ID:44366009
Pathway:Show KEGG pathways
InChI:InChI=1S/C48H61N7O10/c1-6-28(3)41(46(62)53-39(48(64)65)25-33-27-49-35-21-15-14-20-34(33)35)55-47(63)42(29(4)7-2)54-45(61)38(26-40(57)58)52-43(59)36(23-22-31-16-10-8-11-17-31)51-44(60)37(50-30(5)56)24-32-18-12-9-13-19-32/h8-21,27-29,36-39,41-42,49H,6-7,22-26H2,1-5H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t28-,29-,36+,37-,38+,39+,41+,42+/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)CCc1ccccc1)CC(=O)O)C

Properties:
Formula:C48H61N7O10Atoms:65
Molecular Weight:896.039Rotatable Bonds:31
H-bond Acceptors:16H-bond Donors:9
logP:5.5115
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_MOUSEBindingDB-shows
Synonyms:
CHEBI:348749
CHEMBL433893